Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.53 |
| ▸ | RAB9A | P51151 | 7/20 | 0.53 |
| ▸ | HPGD | P15428 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | HMGCR | P04035 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.49 |
| ▸ | MEN1 | O00255 | 5/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28085700 | 0.95 | HSP90AB1 (0.57) | NPC1RAB9AHPGDALDH1A1CYP3A4 | |
| SCHEMBL28085621 | 0.87 | MAOB (0.55) | NPC1RAB9AHPGDALDH1A1MAPK1 | |
| SCHEMBL38652178 | 0.85 | NPC1 (0.68) | NPC1RAB9AHPGDALDH1A1CYP3A4 | |
| SCHEMBL3709147 | 0.85 | NPC1 (0.68) | NPC1RAB9AHPGDALDH1A1CYP3A4 | |
| SCHEMBL2260356 | 0.85 | NPC1 (0.68) | NPC1RAB9AHPGDALDH1A1CYP3A4 | |
| SCHEMBL8665984 | 0.85 | NPC1 (0.63) | NPC1RAB9AHPGDALDH1A1CYP3A4 | |
| SCHEMBL27467332 | 0.84 | SMN1; SMN2 (0.69) | NPC1RAB9AHMGCRKMT2ASMN1; SMN2 | |
| SCHEMBL27963603 | 0.83 | HSP90AB1 (0.70) | NPC1RAB9AHPGDALDH1A1CYP3A4 | |
| SCHEMBL26768598 | 0.81 | ALDH1A1 (0.71) | NPC1RAB9AHPGDALDH1A1CYP3A4 | |
| SCHEMBL26784612 | 0.80 | TSHR (0.52) | NPC1RAB9AHPGDALDH1A1CYP3A4 |
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-105801544-A | 3-aryl-4-arylamine-coumarin derivative and preparing method and medical application thereof | 中国药科大学 | 2016-07-27 | — | — | CN | disclosed |