Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 4/20 | 0.34 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.34 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.33 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | SRC | P12931 | 1/20 | 0.32 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1945874 | 0.87 | ALDH1A1 (0.56) | ALDH1A1HPGDCYP1A1CYP1A2CYP1B1 | |
| SCHEMBL29809738 | 0.87 | ALDH1A1 (0.56) | ALDH1A1HPGDCYP1A1CYP1A2CYP1B1 | |
| SCHEMBL11940517 | 0.80 | ALDH1A1 (0.39) | ALDH1A1HPGDCYP1A1CYP1A2CYP1B1 | |
| SCHEMBL8763318 | 0.80 | ALDH1A1 (0.50) | ALDH1A1HPGDCYP1A1CYP1A2CYP1B1 | |
| SCHEMBL150237 | 0.79 | TSHR (0.50) | ALDH1A1CYP1A1CYP1A2CYP1B1TSHR | |
| SCHEMBL29350459 | 0.79 | TSHR (0.50) | ALDH1A1CYP1A1CYP1A2CYP1B1TSHR | |
| SCHEMBL24176025 | 0.76 | ALDH1A1 (0.47) | ALDH1A1HPGDCYP1A1CYP1A2CYP1B1 | |
| SCHEMBL9914900 | 0.76 | ALDH1A1 (0.47) | ALDH1A1HPGDCYP1A1CYP1A2CYP1B1 | |
| SCHEMBL3917506 | 0.76 | ALDH1A1 (0.47) | ALDH1A1HPGDCYP1A1CYP1A2CYP1B1 | |
| SCHEMBL1020369 | 0.76 | IDO1 (0.50) | ALDH1A1HPGDCYP1A2TSHRGRIA1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6372921-B1 | HALOGENATING ORTHO-XYLENE COMPOUND IN GAS PHASE OR LIQUID PHASE, REACTING PRODUCT WITH HYDROGEN CYANIDE OR SALTS THEREOF, REACTING WITH HALOGEN, HYDROLYZING IN WATER OR WATER CONTAINING PROTIC POLAR SOLVENT UNDER ACIDIC CONDITIONS | SHOWA DENKO K.K. (JP) | 2002-04-16 | — | — | US | claimed |
| EP-1116720-A1 | PROCESSES FOR THE PREPARATION OF ISOCHROMANONES AND INTERMEDIATES FOR THE PREPARATION THEREOF | Showa Denko K.K. (JP) | 2001-07-18 | — | — | EP | claimed |
| US-9610275-B2 | Nitrile derivatives and their pharmaceutical use and compositions | CELLCEUTIX CORPORATION (US) | 2017-04-04 | — | — | US | disclosed |
| US-9610275-B2 | Nitrile derivatives and their pharmaceutical use and compositions | CELLCEUTIX CORPORATION (US) | 2017-04-04 | — | — | US | disclosed |
| US-9610275-B2 | Nitrile derivatives and their pharmaceutical use and compositions | CELLCEUTIX CORPORATION (US) | 2017-04-04 | — | — | US | disclosed |
| US-9340491-B2 | Nitrile derivatives and their pharmaceutical use and compositions | CELLCEUTIX CORPORATION (US) | 2016-05-17 | — | — | US | disclosed |
| US-9340491-B2 | Nitrile derivatives and their pharmaceutical use and compositions | CELLCEUTIX CORPORATION (US) | 2016-05-17 | — | — | US | disclosed |
| US-9340491-B2 | Nitrile derivatives and their pharmaceutical use and compositions | CELLCEUTIX CORPORATION (US) | 2016-05-17 | — | — | US | disclosed |
| CN-102438612-B | Nitrile derivatives, their pharmaceutical use and compositions | CELLCEUTIX CORP. (US) | 2016-02-03 | — | — | CN | disclosed |
| US-20130245062-A1 | NITRILE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | CELLCEUTIX CORPORATION (US) | 2013-09-19 | — | — | US | disclosed |
| US-20130245062-A1 | NITRILE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | CELLCEUTIX CORPORATION (US) | 2013-09-19 | — | — | US | disclosed |
| US-20100298374-A1 | NITRILE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | CELLCEUTIX CORPORATION (US) | 2010-11-25 | — | — | US | disclosed |
| WO-2010135170-A2 | NITRILE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | CELLCEUTIX CORPORATION (US) | 2010-11-25 | — | — | WO | disclosed |
| US-20100298374-A1 | NITRILE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | CELLCEUTIX CORPORATION (US) | 2010-11-25 | — | — | US | disclosed |
| US-6372921-B1 | HALOGENATING ORTHO-XYLENE COMPOUND IN GAS PHASE OR LIQUID PHASE, REACTING PRODUCT WITH HYDROGEN CYANIDE OR SALTS THEREOF, REACTING WITH HALOGEN, HYDROLYZING IN WATER OR WATER CONTAINING PROTIC POLAR SOLVENT UNDER ACIDIC CONDITIONS | SHOWA DENKO K.K. (JP) | 2002-04-16 | — | — | US | disclosed |
| EP-1116720-A1 | PROCESSES FOR THE PREPARATION OF ISOCHROMANONES AND INTERMEDIATES FOR THE PREPARATION THEREOF | Showa Denko K.K. (JP) | 2001-07-18 | — | — | EP | disclosed |
| JP-2000226366-A | PRODUCTION OF 2-CHLOROMETHYLBENZYL CYANIDES | SHOWA DENKO KK | 2000-08-15 | — | — | JP | disclosed |
| JP-2000226384-A | PRODUCTION OF ISOCHROMANONE COMPOUND | SHOWA DENKO KK | 2000-08-15 | — | — | JP | disclosed |
| WO-2000037432-A1 | METHOD OF PRODUCING AROMATIC HALOGEN METHYL COMPOUNDS | BAYER AKTIENGESELLSCHAFT (DE) | 2000-06-29 | — | — | WO | disclosed |
| WO-2000037454-A1 | METHOD FOR PRODUCING 3-ISOCHROMANONE | BAYER AKTIENGESELLSCHAFT (DE) | 2000-06-29 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20130245062-A1 | NITRILE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | NOS1, NOS2, NOS3 | ALDH1A1 1352/4885HPGD 104/4885CYP1A1 121/4885 |
| US-20100298374-A1 | NITRILE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | NOS1, NOS2, NOS3 | ALDH1A1 1352/4885HPGD 104/4885CYP1A1 121/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.