Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | VNN1 | O95497 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL23536632 | 0.85 | VNN1 (0.38) | CYP1A2CYP2D6VNN1USP2ALDH1A1 | |
| SCHEMBL22605433 | 0.83 | OPRM1 (0.41) | CYP1A2TSHRVNN1SMN1; SMN2ALDH1A1 | |
| SCHEMBL26620418 | 0.80 | SMN1; SMN2 (0.41) | CYP1A2TDP1TSHRVNN1SMN1; SMN2 | |
| SCHEMBL2943334 | 0.78 | USP2 (0.47) | TSHRUSP2SMN1; SMN2HPGD | |
| SCHEMBL8269473 | 0.76 | TPSAB1 (0.39) | CYP2D6ALDH1A1 | |
| SCHEMBL3304046 | 0.75 | CYP1A2 (0.44) | CYP1A2TDP1CYP2D6TSHRUSP2 | |
| SCHEMBL13819952 | 0.75 | CYP1A2 (0.44) | CYP1A2TDP1CYP2D6TSHRUSP2 | |
| SCHEMBL14878611 | 0.74 | CYP1A2 (0.43) | CYP1A2TDP1CYP2D6TSHRUSP2 | |
| SCHEMBL12045659 | 0.74 | CYP1A2 (0.43) | CYP1A2TDP1CYP2D6TSHRUSP2 | |
| SCHEMBL19738853 | 0.74 | CYP1A2 (0.43) | CYP1A2TDP1CYP2D6TSHRUSP2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023098825-A1 | SOS1 INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF | 勤浩医药（苏州）有限公司 | 2023-06-08 | — | — | WO | disclosed |