Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | PIK3CG | P48736 | 8/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22276854 | 0.87 | KDM4E (0.44) | NPC1RAB9AHPGDCYP1A2CYP2D6 | |
| SCHEMBL31286070 | 0.87 | KDM4E (0.44) | NPC1RAB9AHPGDCYP1A2CYP2D6 | |
| SCHEMBL22280597 | 0.86 | HPGD (0.46) | NPC1RAB9AHPGDCYP1A2CYP2D6 | |
| SCHEMBL22276885 | 0.79 | NPC1 (0.47) | NPC1RAB9AHPGDCYP1A2CYP2D6 | |
| SCHEMBL22279291 | 0.77 | NPC1 (0.42) | NPC1RAB9AMAPTTP53 | |
| SCHEMBL22280729 | 0.74 | PIK3CG (0.41) | NPC1RAB9AHPGDCYP1A2CYP2D6 | |
| SCHEMBL25070236 | 0.73 | PIK3CG (0.40) | NPC1RAB9ACYP1A2CYP2C19PIK3CG | |
| SCHEMBL22276876 | 0.73 | SMN1; SMN2 (0.47) | NPC1RAB9APIK3CGMAPTSMN1; SMN2 | |
| SCHEMBL22280623 | 0.72 | PIK3CG (0.41) | NPC1RAB9AHPGDCYP1A2CYP2D6 | |
| SCHEMBL12307654 | 0.72 | PIK3CG (0.62) | NPC1RAB9AHPGDCYP1A2CYP2D6 |
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-2020153431-A1 | ESTER COMPOUND | 第一三共株式会社 | 2020-07-30 | — | — | WO | disclosed |