Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.74 |
| ▸ | RAB9A | P51151 | 3/20 | 0.74 |
| ▸ | RECQL | P46063 | 2/20 | 0.74 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.52 |
| ▸ | HTT | P42858 | 3/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL16056223 | 0.98 | NPC1 (0.72) | NPC1RAB9ARECQLALDH1A1KMT2A | |
| SCHEMBL1942075 | 0.95 | NPC1 (0.77) | NPC1RAB9ARECQLALDH1A1KMT2A | |
| SCHEMBL1127097 | 0.90 | NPC1 (0.79) | NPC1RAB9ARECQLALDH1A1KMT2A | |
| SCHEMBL29707208 | 0.90 | NPC1 (0.79) | NPC1RAB9ARECQLALDH1A1KMT2A | |
| SCHEMBL9642715 | 0.88 | NPC1 (0.89) | NPC1RAB9ARECQLALDH1A1KMT2A | |
| SCHEMBL16770474 | 0.87 | NPC1 (0.60) | NPC1RAB9ARECQLALDH1A1KMT2A | |
| SCHEMBL9187561 | 0.86 | NPC1 (1.00) | NPC1RAB9ARECQLALDH1A1KMT2A | |
| SCHEMBL16057079 | 0.83 | NPC1 (0.74) | NPC1RAB9ARECQLALDH1A1KMT2A | |
| SCHEMBL8502393 | 0.83 | NPC1 (0.50) | NPC1RAB9ARECQLALDH1A1KMT2A | |
| SCHEMBL7476786 | 0.83 | NPC1 (0.74) | NPC1RAB9ARECQLALDH1A1KMT2A |
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-102464631-B | Piperazine substituted 1,3-2-substituted carbamide compounds and the substituted amides compound of piperazine and its production and use | 中国科学院上海药物研究所 | 2016-08-10 | — | — | CN | disclosed |