Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | TP53 | P04637 | 4/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL30842529 | 0.90 | NPC1 (0.47) | NPC1ALOX5HDAC6ALDH1A1TP53 | |
| SCHEMBL30842503 | 0.83 | NPC1 (0.68) | NPC1ALOX5ALDH1A1TP53HSD17B10 | |
| SCHEMBL25192531 | 0.83 | NPC1 (0.68) | NPC1ALOX5ALDH1A1TP53HSD17B10 | |
| SCHEMBL9866616 | 0.75 | NPC1 (0.53) | NPC1HDAC6ALDH1A1TP53HSD17B10 | |
| SCHEMBL31164530 | 0.75 | NPC1 (0.61) | NPC1ALOX5ALDH1A1TP53HSD17B10 | |
| SCHEMBL25195617 | 0.75 | NPC1 (0.61) | NPC1ALOX5ALDH1A1TP53HSD17B10 | |
| SCHEMBL30842516 | 0.75 | NPC1 (0.51) | NPC1ALOX5HDAC6ALDH1A1TP53 | |
| SCHEMBL9868967 | 0.70 | ALDH1A1 (0.63) | NPC1ALDH1A1TP53HSD17B10MAPK1 | |
| SCHEMBL2624795 | 0.68 | MAPT (0.72) | NPC1ALDH1A1TP53HSD17B10MEN1 | |
| SCHEMBL12210412 | 0.68 | AAK1 (0.42) | TP53LMNAPOLBAAK1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024078372-A1 | HETEROCYCLIC SUBSTITUTED PHENOL DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF | 上海泽德曼医药科技有限公司 | 2024-04-18 | — | — | WO | disclosed |