Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRA | P25101 | 8/20 | 0.37 |
| ▸ | EDNRB | P24530 | 6/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | CES2 | O00748 | 2/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CRHBP | P24387 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8322076 | 0.85 | HCRTR1 (0.36) | EDNRAEDNRBNPC1RAB9AALDH1A1 | |
| SCHEMBL8321836 | 0.76 | EDNRA (0.37) | EDNRAEDNRBCES2GPR84MEN1 | |
| SCHEMBL8321570 | 0.72 | NPC1 (0.35) | NPC1RAB9AALDH1A1CES2MEN1 | |
| SCHEMBL8324080 | 0.71 | TUBB4A (0.35) | RAB9AALDH1A1CES2MEN1MAPT | |
| SCHEMBL8319030 | 0.69 | MAOB (0.38) | NPC1RAB9AMEN1MAPTKMT2A | |
| SCHEMBL8918214 | 0.65 | CES2 (0.36) | EDNRAEDNRBCES2 | |
| SCHEMBL8801256 | 0.64 | HCRTR1 (0.35) | EDNRAEDNRBCES2CYP1A2CYP2C9 | |
| SCHEMBL8320127 | 0.63 | HCRTR1 (0.37) | NPC1RAB9AALDH1A1ALOX5MEN1 | |
| SCHEMBL3401912 | 0.59 | ALDH1A1 (0.56) | NPC1RAB9AALDH1A1MEN1KMT2A | |
| SCHEMBL28110823 | 0.58 | CCNA2 (0.55) | NPC1RAB9AALDH1A1MEN1MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0752424-B1 | NICOTINIC ACID DERIVATIVE AND HERBICIDE | KUMIAI CHEMICAL INDUSTRY CO (JP) | 1999-06-16 | — | — | EP | disclosed |
| US-5877120-A | Nicotinic acid derivatives and herbicides | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 1999-03-02 | — | — | US | disclosed |
| EP-0752424-A1 | NICOTINIC ACID DERIVATIVE AND HERBICIDE | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 1997-01-08 | — | — | EP | disclosed |