Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | CA2 | P00918 | 6/20 | 0.36 |
| ▸ | CA1 | P00915 | 5/20 | 0.36 |
| ▸ | CA12 | O43570 | 4/20 | 0.36 |
| ▸ | CA9 | Q16790 | 4/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 3/20 | 0.35 |
| ▸ | FBP1 | P09467 | 2/20 | 0.35 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.35 |
| ▸ | PHGDH | O43175 | 1/20 | 0.35 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 4/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL607929 | 1.00 | ALDH1A1 (0.38) | ALDH1A1CA2CA1CA12CA9 | |
| SCHEMBL610169 | 0.97 | — | — | |
| SCHEMBL607938 | 0.85 | — | — | |
| SCHEMBL22620589 | 0.75 | MMP1 (0.32) | ALDH1A1CA2CA1CA12CA9 | |
| SCHEMBL21218097 | 0.74 | CYP1A2 (0.42) | ALDH1A1MGLLPHGDHCYP1A2LMNA | |
| SCHEMBL19566767 | 0.74 | MAPT (0.42) | ALDH1A1CA2CA1CA12CA9 | |
| SCHEMBL21912690 | 0.74 | CA2 (0.39) | CA2CA1CA12CA9CHKA | |
| SCHEMBL24700545 | 0.73 | ALDH1A1 (0.32) | ALDH1A1TP53 | |
| SCHEMBL24090866 | 0.72 | — | — | |
| SCHEMBL2754246 | 0.72 | ALDH1A1 (0.38) | ALDH1A1CA2CA1CA12CA9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024076672-A1 | HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF | AMGEN INC. (US) | 2024-04-11 | — | — | WO | disclosed |
| CN-102286130-A | Conjugated diene polymer, conjugated diene polymer composition, and method for producing conjugated diene polymer | — | 2011-12-21 | — | — | CN | disclosed |
| US-20110275756-A1 | CONJUGATED DIENE POLYMER, CONJUGATED DIENE POLYMER COMPOSITION, AND METHOD FOR PRODUCING CONJUGATED DIENE POLYMER | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-11-10 | — | — | US | disclosed |