Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | PNMT | P11086 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | PDE2A | O00408 | 1/20 | 0.36 |
| ▸ | KRAS | P01116 | 1/20 | 0.36 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.36 |
| ▸ | CFD | P00746 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 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 | |
|---|---|---|---|---|
| SCHEMBL23326566 | 1.00 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL30577965 | 1.00 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL29672766 | 1.00 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL21132678 | 1.00 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL27089982 | 1.00 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| Hydrochloric Acid SCHEMBL23247765 | 0.98 | LMNA (0.47) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| Hydrochloric Acid SCHEMBL29180804 | 0.98 | LMNA (0.47) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| Hydrochloric Acid SCHEMBL23247764 | 0.98 | LMNA (0.47) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| Hydrochloric Acid SCHEMBL29755142 | 0.98 | LMNA (0.47) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| Hydrochloric Acid SCHEMBL29901777 | 0.98 | LMNA (0.47) | CYP1A2CYP3A4CYP2D6NFKB1PNMT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117396472-A | SOS1 inhibitors and uses thereof | 上海齐鲁锐格医药研发有限公司 | 2024-01-12 | — | — | CN | disclosed |
| CN-116082360-A | Polycyclic compounds as SOS1 inhibitors | 昆药集团股份有限公司 | 2023-05-09 | — | — | CN | disclosed |