Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | ANPEP | P15144 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8974659 | 0.87 | HSD17B10 (0.41) | EGFRSRCHSD17B10CYP1A2CYP2C9 | |
| SCHEMBL11940533 | 0.83 | L3MBTL1 (0.44) | EGFRSRCHSD17B10CYP1A2CYP2C9 | |
| SCHEMBL235416 | 0.81 | ALDH1A1 (0.46) | HSD17B10CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL7463076 | 0.77 | HSD17B10 (0.46) | HSD17B10CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL6173898 | 0.75 | TSHR (0.48) | EGFRSRCHSD17B10CYP1A2CYP2C9 | |
| SCHEMBL4594281 | 0.75 | ANPEP (0.48) | HSD17B10CYP1A2CYP2C19ALDH1A1TDP1 | |
| SCHEMBL953654 | 0.75 | HSD17B10 (0.63) | HSD17B10CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL30439535 | 0.75 | ANPEP (0.48) | HSD17B10CYP1A2CYP2C19ALDH1A1TDP1 | |
| SCHEMBL956020 | 0.75 | POLB (0.46) | HSD17B10ALDH1A1TDP1CYP2A6TSHR | |
| SCHEMBL11940549 | 0.74 | HTT (0.56) | HSD17B10CYP1A2CYP2C19ALDH1A1KDM4E |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-20130245062-A1 | NITRILE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | CELLCEUTIX CORPORATION (US) | 2013-09-19 | — | — | US | disclosed |
| US-8338454-B2 | Nitrile derivatives and their pharmaceutical use and compositions | CELLCEUTIX CORPORATION (US) | 2012-12-25 | — | — | US | disclosed |
| US-8338454-B2 | Nitrile derivatives and their pharmaceutical use and compositions | CELLCEUTIX CORPORATION (US) | 2012-12-25 | — | — | US | disclosed |
| US-8338454-B2 | Nitrile derivatives and their pharmaceutical use and compositions | CELLCEUTIX CORPORATION (US) | 2012-12-25 | — | — | US | disclosed |
| US-20120189537-A1 | NITRILE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | CELLCEUTIX CORPORATION | 2012-07-26 | — | — | US | disclosed |
| CN-102438612-A | Nitrile derivatives, their pharmaceutical use and compositions | CELLCEUTIX CORP | 2012-05-02 | — | — | CN | disclosed |
| EP-2432464-A2 | NITRILE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | Cellceutix Corporation (US) | 2012-03-28 | — | — | EP | 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-20100298374-A1 | NITRILE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | CELLCEUTIX CORPORATION (US) | 2010-11-25 | — | — | US | disclosed |
| US-20100298374-A1 | NITRILE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | CELLCEUTIX CORPORATION (US) | 2010-11-25 | — | — | US | 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 (3 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 | EGFR 1039/4885SRC 1161/4885HSD17B10 2190/4885 |
| US-20120189537-A1 | NITRILE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | NOS1, NOS2, NOS3 | EGFR 1039/4885SRC 1161/4885HSD17B10 2190/4885 |
| US-20100298374-A1 | NITRILE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | NOS1, NOS2, NOS3 | EGFR 1039/4885SRC 1161/4885HSD17B10 2190/4885 |
“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.