Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
| ▸ | NOS2 | P35228 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 7/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.34 |
| ▸ | RAB9A | P51151 | 4/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | BCHE | P06276 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL497374 | 0.94 | NOS3 (0.43) | NOS3NOS1NOS2TRPA1NPC1 | |
| SCHEMBL29369520 | 0.94 | NOS3 (0.43) | NOS3NOS1NOS2TRPA1NPC1 | |
| Propionaldehyde SCHEMBL28859775 | 0.82 | NOS3 (0.37) | NOS3NOS1NOS2TRPA1ALDH1A1 | |
| SCHEMBL520026 | 0.81 | TSHR (0.44) | NOS3NOS1NOS2TRPA1NPC1 | |
| SCHEMBL28859774 | 0.81 | NOS3 (0.36) | NOS3NOS1NOS2TRPA1SMN1; SMN2 | |
| SCHEMBL12471274 | 0.79 | TSHR (0.48) | NOS3NOS1NOS2TRPA1NPC1 | |
| SCHEMBL30015193 | 0.72 | NOS3 (0.41) | NOS3NOS1NOS2TRPA1NPC1 | |
| SCHEMBL30708207 | 0.72 | TRPA1 (0.39) | NOS3NOS1NOS2TRPA1NPC1 | |
| SCHEMBL29861109 | 0.70 | — | — | |
| SCHEMBL60763 | 0.70 | — | — |
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-109836415-A | Carbamide compounds as ALK inhibitor | 北京博远精准医疗科技有限公司 | 2019-06-04 | — | — | CN | claimed |
| CN-109836415-A | Carbamide compounds as ALK inhibitor | 北京博远精准医疗科技有限公司 | 2019-06-04 | — | — | CN | disclosed |