Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.56 |
| ▸ | RAB9A | P51151 | 3/20 | 0.56 |
| ▸ | CASP3 | P42574 | 2/20 | 0.56 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.56 |
| ▸ | FBP1 | P09467 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | EIF4E | P06730 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30785680 | 0.87 | NPC1 (0.70) | NPC1RAB9ACASP3SENP7FBP1 | |
| SCHEMBL2957169 | 0.87 | NPC1 (0.70) | NPC1RAB9ACASP3SENP7FBP1 | |
| SCHEMBL27292647 | 0.82 | RAB9A (0.60) | NPC1RAB9ACASP3SENP7FBP1 | |
| SCHEMBL3491442 | 0.81 | NPC1 (0.58) | NPC1RAB9ACASP3SENP7FBP1 | |
| SCHEMBL28019848 | 0.79 | TDP1 (0.47) | FBP1ALDH1A1KMT2AMAPTTDP1 | |
| SCHEMBL2970853 | 0.78 | ALDH1A1 (0.54) | NPC1RAB9ACASP3SENP7FBP1 | |
| SCHEMBL7244775 | 0.77 | NPC1 (0.58) | NPC1RAB9ACASP3SENP7FBP1 | |
| SCHEMBL14469794 | 0.76 | NPC1 (0.51) | NPC1RAB9ACASP3SENP7FBP1 | |
| SCHEMBL12472637 | 0.76 | NPC1 (0.50) | NPC1RAB9ACASP3SENP7FBP1 | |
| SCHEMBL3489465 | 0.74 | NPC1 (0.52) | NPC1RAB9ACASP3SENP7FBP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104768952-B | PI3K inhibitors | 山东亨利医药科技有限责任公司 | 2016-10-19 | — | — | CN | disclosed |
| CN-104768952-A | PI3K inhibitors | KBP BIOSCIENCES CO LTD | 2015-07-08 | — | — | CN | disclosed |