Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.38 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL30678373 | 0.87 | HDAC1 (0.40) | MAPTALDH1A1KMT2AMEN1HTT | |
| SCHEMBL30678368 | 0.84 | PDE1B (0.36) | ALDH1A1KMT2AMEN1HTTSMN1; SMN2 | |
| SCHEMBL30678371 | 0.76 | PDE1B (0.42) | NPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL7237063 | 0.70 | HTT (0.76) | NPC1RAB9ACYP3A4CYP2D6MAPT | |
| SCHEMBL19354353 | 0.68 | PDE1B (0.44) | NPC1RAB9AMAPTALDH1A1KMT2A | |
| SCHEMBL25227436 | 0.66 | KMT2A (0.49) | NPC1RAB9AMAPTALDH1A1KMT2A | |
| SCHEMBL30473818 | 0.66 | KMT2A (0.49) | NPC1RAB9AMAPTALDH1A1KMT2A | |
| SCHEMBL29921576 | 0.66 | PDE1B (0.41) | NPC1RAB9AMAPTALDH1A1KMT2A | |
| SCHEMBL29873266 | 0.65 | MAPT (0.45) | NPC1RAB9AMAPTKMT2AMEN1 | |
| SCHEMBL19354355 | 0.64 | PDE1B (0.39) | NPC1RAB9AMAPTALDH1A1KMT2A |
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-117126140-A | Heterocyclic compounds having protein kinase inhibitory activity, pharmaceutical compositions containing the same, and methods of preparing and using the same | 四川科伦博泰生物医药股份有限公司 | 2023-11-28 | — | — | CN | disclosed |