Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CASP6 | P55212 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4724913 | 1.00 | PIK3CD (0.47) | PIK3CDCYP1A2TDP1KMT2AKDM4E | |
| SCHEMBL16026595 | 0.87 | MEN1 (0.37) | KMT2AKDM4EALDH1A1HRH3CYP2D6 | |
| SCHEMBL6218610 | 0.81 | CYP1A2 (0.48) | PIK3CDCYP1A2TDP1KMT2AKDM4E | |
| SCHEMBL4038008 | 0.81 | MEN1 (0.33) | KMT2AHRH3CYP2D6KCNH2 | |
| SCHEMBL23278004 | 0.80 | HRH3 (0.39) | KMT2AKDM4EALDH1A1HRH3SIGMAR1 | |
| SCHEMBL3475831 | 0.79 | PIK3CD (0.47) | PIK3CDCYP1A2TDP1KMT2AKDM4E | |
| SCHEMBL931735 | 0.79 | BLM (0.41) | KMT2AKDM4EALDH1A1EPHX2 | |
| SCHEMBL19044559 | 0.78 | KDM4E (0.44) | CYP1A2TDP1KMT2AKDM4EALDH1A1 | |
| SCHEMBL4038010 | 0.78 | KDM4E (0.44) | CYP1A2TDP1KMT2AKDM4EALDH1A1 | |
| SCHEMBL19044557 | 0.78 | KDM4E (0.44) | CYP1A2TDP1KMT2AKDM4EALDH1A1 |
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-1917262-A1 | PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2008-05-07 | — | — | EP | disclosed |
| WO-2007020194-A1 | PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-02-22 | — | — | WO | disclosed |