Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 3/20 | 0.43 |
| ▸ | SOS1 | Q07889 | 3/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | TYMS | P04818 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30872206 | 0.81 | ALDH1A1 (0.40) | KRASSOS1ABCB1ALDH1A1GAA | |
| SCHEMBL9924223 | 0.81 | ALDH1A1 (0.40) | KRASSOS1ABCB1ALDH1A1GAA | |
| SCHEMBL27531475 | 0.78 | ALDH1A1 (0.38) | KRASSOS1ABCB1ALDH1A1GAA | |
| SCHEMBL23809196 | 0.75 | ALDH1A1 (0.43) | KRASSOS1ABCB1ALDH1A1GAA | |
| SCHEMBL10216198 | 0.75 | CYP2A6 (0.44) | KDM4EHPGDADRB2ADRB1HTR1A | |
| SCHEMBL287031 | 0.74 | ALDH1A1 (0.42) | KRASSOS1ABCB1ALDH1A1GAA | |
| SCHEMBL12930760 | 0.74 | ALDH1A1 (0.45) | KRASSOS1ABCB1ALDH1A1GAA | |
| SCHEMBL8200797 | 0.73 | DPP4 (0.40) | KRASSOS1ABCB1ALDH1A1GAA | |
| SCHEMBL27506477 | 0.71 | ALDH1A1 (0.42) | KRASSOS1ABCB1ALDH1A1GAA | |
| SCHEMBL5541367 | 0.69 | ALDH1A1 (0.41) | ABCB1ALDH1A1GAAKDM4EHPGD |
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 |