Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | CCR1 | P32246 | 1/20 | 0.37 |
| ▸ | CCR5 | P51681 | 1/20 | 0.37 |
| ▸ | CCR8 | P51685 | 1/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.35 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 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 | |
|---|---|---|---|---|
| SCHEMBL28489477 | 0.87 | FFAR4 (0.39) | ALDH1A1CYP3A4 | |
| SCHEMBL29376192 | 0.79 | ALDH1A1 (0.38) | ALDH1A1CCR1CCR5CCR8CYP1A1 | |
| SCHEMBL16105558 | 0.79 | ALDH1A1 (0.38) | ALDH1A1CCR1CCR5CCR8CYP1A1 | |
| SCHEMBL10993021 | 0.79 | CA12 (0.43) | ALDH1A1CCR1CCR5CCR8CYP1A1 | |
| SCHEMBL7321441 | 0.79 | MAPT (0.39) | ALDH1A1CCR1CCR5CCR8CYP1A1 | |
| SCHEMBL17052893 | 0.79 | P2RX7 (0.36) | ALDH1A1CCR1CCR5CCR8CYP1A1 | |
| SCHEMBL7943082 | 0.77 | TAAR1 (0.39) | ALDH1A1CCR1CCR5CCR8CYP1A1 | |
| SCHEMBL9951957 | 0.77 | ALDH1A1 (0.36) | ALDH1A1CCR1CCR5CCR8CYP1A1 | |
| SCHEMBL5942329 | 0.77 | CHRNB2 (0.40) | ALDH1A1CCR1CCR5CCR8CYP1A1 | |
| SCHEMBL3929194 | 0.77 | ALDH1A1 (0.41) | ALDH1A1CCR1CCR5CCR8CYP3A4 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024112853-A1 | COMPOUNDS THAT INHIBIT PKMYT1 | EXELIXIS, INC. (US) | 2024-05-30 | — | — | WO | disclosed |
| US-11780836-B2 | Process of preparing a PD-1/PD-L1 inhibitor | INCYTE CORPORATION (US) | 2023-10-10 | — | — | US | disclosed |
| WO-2023114954-A1 | PYRAZOLOPYRAZINE COMPOUNDS AS SHP2 INHIBITORS | GENZYME CORPORATION (US) | 2023-06-22 | — | — | WO | disclosed |
| US-9822131-B2 | Certain chemical entities, compositions and methods | INTELLIKINE LLC (US) | 2017-11-21 | — | — | US | disclosed |
| US-20160185800-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | INTELLIKINE, INC. | 2016-06-30 | — | — | US | disclosed |
| WO-2015055974-A1 | PROTON PUMP INHIBITOR PASTE COMPOSITIONS | NORBROOK LABORATORIES LIMITED (GB) | 2015-04-23 | — | — | WO | disclosed |
| CN-102105473-B | Tricyclic nitrogen containing compounds and their use as antibacterials | GLAXO GROUP LTD | 2013-05-08 | — | — | CN | disclosed |
| US-20110237576-A1 | 2-AMINOPYRIMIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVES BOTH HAVING BACE1-INHIBITING ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2011-09-29 | — | — | US | disclosed |
| CN-102105473-A | Tricyclic nitrogen containing compounds and their use as antibacterials | GLAXO GROUP LTD | 2011-06-22 | — | — | CN | disclosed |
| WO-2010047372-A1 | 2-AMINOPYRIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVE BOTH HAVING BACE1-INHIBITING ACTIVITY | 塩野義製薬株式会社 (JP) | 2010-04-29 | — | — | WO | disclosed |
| EP-0819004-B1 | PHARMACEUTICAL COMPOSITION CONTAINING PROTON PUMP INHIBITORS | MERCK & CO INC (US) | 2009-08-05 | — | — | EP | disclosed |
| US-20090054428-A1 | NOVEL PYRIMIDINE DERIVATIVES 965 | ASTRAZENECA AB (SE) | 2009-02-26 | — | — | US | disclosed |
| US-20090054428-A1 | NOVEL PYRIMIDINE DERIVATIVES 965 | ASTRAZENECA AB (SE) | 2009-02-26 | — | — | US | disclosed |
| US-20080027011-A1 | Homogeneous paste and gel formulations | MERIAL LIMITED | 2008-01-31 | — | — | US | disclosed |
| US-20080027011-A1 | Homogeneous paste and gel formulations | MERIAL LIMITED | 2008-01-31 | — | — | US | disclosed |
| EP-0369208-B1 | PROCESS FOR THE PREPARATION OF 3,5-DIMETHYL-4-METHOXY PYRIDINE DERIVATIVES, AND INTERMEDIATE THEREFOR | Hafslund Nycomed Pharma Aktiengesellschaft (AT) | 1993-03-17 | — | — | EP | disclosed |
| EP-0369208-A1 | Process for the preparation of 3,5-dimethyl-4-methoxy pyridine derivatives, and intermediate therefor | Hafslund Nycomed Pharma Aktiengesellschaft (AT) | 1990-05-23 | — | — | EP | 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 (5 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-20080027011-A1 | Homogeneous paste and gel formulations | EPX, CAT, PEF1 | ALDH1A1 1981/4885CYP2A6 3062/4885CCR1 2693/4885 |
| US-11780836-B2 | Process of preparing a PD-1/PD-L1 inhibitor | PDCD1, CD274, PDCD1LG2 | ALDH1A1 242/4885CYP2A6 2922/4885CCR1 107/4885 |
| US-20160185800-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | PIK3CA, AKT3, PIK3C2A | ALDH1A1 3187/4885CYP2A6 3157/4885CCR1 2957/4885 |
| US-20110237576-A1 | 2-AMINOPYRIMIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVES BOTH HAVING BACE1-INHIBITING ACTIVITY | BACE1, APP, BACE2 | ALDH1A1 1101/4885CYP2A6 1486/4885CCR1 3108/4885 |
| US-20090054428-A1 | NOVEL PYRIMIDINE DERIVATIVES 965 | EPHB4, EPHB1, EPHB3 | ALDH1A1 1420/4885CYP2A6 2279/4885CCR1 2126/4885 |
“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.