Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.34 |
| ▸ | RAB9A | P51151 | 8/20 | 0.34 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 5/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.32 |
| ▸ | MEN1 | O00255 | 5/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.32 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.32 |
| ▸ | F2RL3 | Q96RI0 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 3/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19783154 | 1.00 | NPC1 (0.34) | NPC1RAB9AGRM2MAOAMAOB | |
| SCHEMBL30189609 | 0.84 | CYP3A4 (0.48) | CYP1A2CYP3A4CYP2C19MAPTALDH1A1 | |
| SCHEMBL19782548 | 0.84 | CYP3A4 (0.48) | CYP1A2CYP3A4CYP2C19MAPTALDH1A1 | |
| SCHEMBL19782536 | 0.76 | NSD1 (0.33) | MAOAMAOB | |
| SCHEMBL19782939 | 0.76 | F2RL3 (0.43) | NPC1RAB9ACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL19782620 | 0.76 | F2RL3 (0.45) | NPC1RAB9ACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL30189854 | 0.74 | LCK (0.48) | NPC1RAB9ACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL19783358 | 0.74 | F2RL3 (0.44) | CYP1A2CYP3A4CYP2C19PDK1F2RL3 | |
| SCHEMBL30189743 | 0.74 | F2RL3 (0.44) | CYP1A2CYP3A4CYP2C19PDK1F2RL3 | |
| SCHEMBL19782618 | 0.74 | F2RL3 (0.44) | NPC1RAB9ACYP1A2CYP3A4CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109689647-B | Bicyclic heteroaryl substituted compounds | 百时美施贵宝公司 | 2023-01-20 | — | — | CN | disclosed |