Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 3/20 | 0.35 |
| ▸ | DCUN1D1 | Q96GG9 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29833718 | 0.77 | PARP1 (0.39) | NISCHIDO1ALDH1A1NPC1RAB9A | |
| SCHEMBL15037628 | 0.77 | PARP1 (0.39) | NISCHIDO1ALDH1A1NPC1RAB9A | |
| SCHEMBL12997917 | 0.76 | IDO1 (0.35) | IDO1 | |
| SCHEMBL28995846 | 0.76 | NISCH (0.31) | NISCH | |
| SCHEMBL5769479 | 0.76 | CYP2A6 (0.40) | IDO1HTR7DCUN1D1ALDH1A1NPC1 | |
| SCHEMBL13170396 | 0.76 | NISCH (0.46) | NISCHIDO1HTR7DCUN1D1ALDH1A1 | |
| SCHEMBL7163648 | 0.70 | NISCH (0.39) | NISCHALDH1A1NPC1NOTUMKDM4E | |
| SCHEMBL28995691 | 0.69 | ALDH1A1 (0.49) | ALDH1A1RAB9AL3MBTL1RXFP1CYP1A2 | |
| SCHEMBL29347993 | 0.69 | NISCH (0.37) | NISCHIDO1HTR7DCUN1D1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL3691039 | 0.68 | HTR6 (0.49) | NISCHHTR2BHTR6 |
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-116057047-A | Synthesis of heterocyclic compounds from carboxamides and carboxamide derivatives and haloalkanols | 夸祖鲁-纳塔尔大学 | 2023-05-02 | — | — | CN | disclosed |
| CN-115703798-A | Azaindolinone derivatives and their use in medicine | 成都百裕制药股份有限公司 | 2023-02-17 | — | — | CN | disclosed |