Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | KMO | O15229 | 1/20 | 0.48 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.47 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.47 |
| ▸ | DAO | P14920 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.46 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.45 |
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | DHODH | Q02127 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CDC25B | P30305 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6612952 | 0.94 | EGFR (0.53) | MAPTKMODAOTSHRNAPRT | |
| SCHEMBL142183 | 0.89 | — | — | |
| SCHEMBL27536645 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL4253131 | 0.87 | — | — | |
| Formaldehyde SCHEMBL27533174 | 0.85 | MAPT (0.47) | MAPTKCNK3KCNK9DAOTSHR | |
| Methylamine SCHEMBL27945126 | 0.83 | TRPA1 (0.47) | MAPTKCNK3KCNK9DAOTSHR | |
| Acetone SCHEMBL28506095 | 0.83 | TRPA1 (0.47) | MAPTKCNK3KCNK9DAOTSHR | |
| Ethylene Glycol SCHEMBL28192812 | 0.81 | TRPA1 (0.46) | MAPTKCNK3KCNK9DAOTSHR | |
| Trimethylammonium SCHEMBL27360406 | 0.81 | TRPA1 (0.46) | MAPTKCNK3KCNK9DAOTSHR | |
| SCHEMBL6612956 | 0.78 | PDCD1 (0.47) | MAPTKCNK3KCNK9GPR52ALOX5 |
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-102659774-A | Piperidine and piperazine derivatives as P2X3 antagonists | HOFFMANN LA ROCHE | 2012-09-12 | — | — | CN | disclosed |
| CN-101282972-A | Piperidine and piperazine derivatives as P2X3 antagonists | HOFFMANN LA ROCHE (CH) | 2008-10-08 | — | — | CN | disclosed |