Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 4/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | SYK | P43405 | 1/20 | 0.37 |
| ▸ | KDM5A | P29375 | 3/20 | 0.37 |
| ▸ | KDM4C | Q9H3R0 | 3/20 | 0.37 |
| ▸ | KDM5B | Q9UGL1 | 3/20 | 0.37 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.37 |
| ▸ | KDM4A | O75164 | 1/20 | 0.36 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.36 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2263082 | 0.81 | POLB (0.47) | CYP2C9CYP2C19MEN1KMT2AHTR7 | |
| SCHEMBL34470271 | 0.77 | MYC (0.47) | MEN1KMT2ANPC1RAB9AKDM5A | |
| SCHEMBL2263086 | 0.74 | MAP4K4 (0.46) | NPC1MAP4K4KDM5AKDM4CKDM5B | |
| SCHEMBL16672322 | 0.73 | BCL2L1 (0.47) | MAP4K4KDM5AKDM4CKDM5BKDM2B | |
| SCHEMBL2259098 | 0.70 | POLB (0.67) | ALDH1A1MEN1KMT2ASYKKDM5A | |
| SCHEMBL2262203 | 0.70 | BCL2L1 (0.44) | CYP2C9MAP4K4GCGRMAPK14 | |
| SCHEMBL2745136 | 0.66 | BCL2L1 (0.58) | CYP2C9MEN1KMT2AHTR7NPC1 | |
| SCHEMBL2259172 | 0.66 | BCL2L1 (0.40) | MEN1KMT2ANPC1RAB9AMAP4K4 | |
| SCHEMBL451880 | 0.66 | TACR3 (0.45) | ALDH1A1CYP2C9CYP2C19NPC1RAB9A | |
| SCHEMBL30673348 | 0.66 | DHODH (0.54) | HTR7DHODHNPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2358371-A1 | P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN | Merck Sharp & Dohme Corp. (US) | 2011-08-24 | — | — | EP | disclosed |
| WO-2010051188-A1 | P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN | MERCK SHARP & DOHME CORP. (US) | 2010-05-06 | — | — | WO | disclosed |