Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.43 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.43 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.43 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL12501575 | 0.89 | SMN1; SMN2 (0.52) | SMN1; SMN2NPC1RAB9AALDH1A1CYP2C19 | |
| SCHEMBL1441322 | 0.89 | SMN1; SMN2 (0.52) | SMN1; SMN2NPC1RAB9AALDH1A1CYP2C19 | |
| SCHEMBL30453534 | 0.89 | SMN1; SMN2 (0.52) | SMN1; SMN2NPC1RAB9AALDH1A1CYP2C19 | |
| SCHEMBL28390258 | 0.89 | ALDH1A1 (0.58) | SMN1; SMN2NPC1RAB9AALDH1A1CYP2C19 | |
| SCHEMBL14636622 | 0.87 | SMN1; SMN2 (0.50) | SMN1; SMN2NPC1RAB9AALDH1A1CYP2C19 | |
| SCHEMBL29068072 | 0.87 | SMN1; SMN2 (0.61) | SMN1; SMN2NPC1RAB9AALDH1A1CYP2C19 | |
| SCHEMBL10189884 | 0.87 | SMN1; SMN2 (0.61) | SMN1; SMN2NPC1RAB9AALDH1A1CYP2C19 | |
| SCHEMBL1441152 | 0.87 | SMN1; SMN2 (0.61) | SMN1; SMN2NPC1RAB9AALDH1A1CYP2C19 | |
| SCHEMBL29067884 | 0.85 | SMN1; SMN2 (0.53) | SMN1; SMN2NPC1RAB9AALDH1A1CYP2C19 | |
| SCHEMBL29067886 | 0.85 | SMN1; SMN2 (0.53) | SMN1; SMN2NPC1RAB9AALDH1A1CYP2C19 |
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-2022237649-A1 | EXOCYCLIC AMINO QUINAZOLINE DERIVATIVES AS KRAS INHIBITORS | NIKANG THERAPEUTICS, INC. (US) | 2022-11-17 | — | — | WO | disclosed |