Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.35 |
| ▸ | GPR39 | O43194 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.34 |
| ▸ | DHODH | Q02127 | 2/20 | 0.33 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.33 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.33 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | RHEB | Q15382 | 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 | |
|---|---|---|---|---|
| SCHEMBL29047123 | 1.00 | CYP1A2 (0.36) | CYP1A2CYP2D6CYP2C19BRD4RECQL | |
| SCHEMBL29664247 | 0.81 | KDM4E (0.47) | BRD4KCNH2MCHR1GPR39USP2 | |
| SCHEMBL29047115 | 0.81 | KDM4E (0.47) | BRD4KCNH2MCHR1GPR39USP2 | |
| SCHEMBL29047116 | 0.69 | TLR8 (0.41) | CYP1A2MCHR1MAPK1NR3C1TLR8 | |
| SCHEMBL29047119 | 0.66 | GAA (0.39) | MCHR1MAPK1PDE1C | |
| SCHEMBL856542 | 0.66 | CYP3A4 (0.52) | CYP3A4RAB9A | |
| SCHEMBL20509231 | 0.65 | ELANE (0.55) | TLR7 | |
| SCHEMBL21248471 | 0.65 | TSHR (0.42) | CYP1A2CYP2D6CYP2C19NR3C1 | |
| SCHEMBL21265213 | 0.65 | TSHR (0.42) | CYP1A2CYP2D6CYP2C19NR3C1RAB9A | |
| SCHEMBL21248131 | 0.64 | CYP1A2 (0.42) | CYP1A2CYP2D6CYP2C19NR3C1 |
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-2022121813-A1 | SOS1 INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF | 北京泰德制药股份有限公司 | 2022-06-16 | — | — | WO | disclosed |