Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | JMJD6 | Q6NYC1 | 5/20 | 0.42 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.41 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5477505 | 0.82 | HTT (0.57) | NPC1RAB9APTGDR2ALDH1A1SMN1; SMN2 | |
| SCHEMBL12571565 | 0.82 | MAPK1 (0.49) | NPC1RAB9ASCN9APTGDR2CYP2C19 | |
| SCHEMBL8341099 | 0.81 | NPC1 (0.59) | NPC1RAB9APTGDR2KDM4ESMN1; SMN2 | |
| SCHEMBL12571572 | 0.80 | NPC1 (0.43) | NPC1RAB9ASCN9APTGDR2CYP2C19 | |
| SCHEMBL22617396 | 0.80 | NOTUM (0.45) | NPC1RAB9ANOTUMNPSR1KDM4E | |
| SCHEMBL29541402 | 0.80 | NOTUM (0.45) | NPC1RAB9ANOTUMNPSR1KDM4E | |
| SCHEMBL23275706 | 0.79 | CYP2C19 (0.42) | RAB9AJMJD6CYP2C19CYP2C9PIK3CA | |
| SCHEMBL23275704 | 0.78 | PIK3CA (0.40) | NPC1RAB9AJMJD6PIK3CANPSR1 | |
| SCHEMBL2411096 | 0.78 | HPGDS (0.62) | NPC1RAB9APTGDR2NPSR1ALDH1A1 | |
| SCHEMBL20300504 | 0.78 | RAB9A (0.57) | NPC1RAB9APTGDR2CYP1A2NPSR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021078020-A1 | SMALL MOLECULE COMPOUND | 嘉兴特科罗生物科技有限公司 | 2021-04-29 | — | — | WO | disclosed |
| WO-2021078020-A1 | SMALL MOLECULE COMPOUND | 嘉兴特科罗生物科技有限公司 | 2021-04-29 | — | — | WO | disclosed |
| CN-110734428-A | small molecule compounds | 嘉兴特科罗生物科技有限公司 | 2020-01-31 | — | — | CN | disclosed |