Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | BDKRB1 | P46663 | 5/20 | 0.42 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ASPH | Q12797 | 1/20 | 0.40 |
| ▸ | KDM8 | Q8N371 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CDC7 | O00311 | 1/20 | 0.39 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15436232 | 0.76 | NOS2 (0.43) | ACHENPSR1HPGDKDM4ESMN1; SMN2 | |
| SCHEMBL451920 | 0.70 | PTGS2 (0.45) | ACHENPSR1HPGDKDM4EALDH1A1 | |
| SCHEMBL4220977 | 0.69 | CDC7 (0.56) | HPGDKDM5BKDM4ECDC7ALDH1A1 | |
| SCHEMBL3291794 | 0.68 | CA1 (0.53) | HPGDKDM4EALDH1A1LMNAGAA | |
| SCHEMBL5871444 | 0.67 | PKM (0.58) | BDKRB1HPGDKDRKDM5BKDM4E | |
| SCHEMBL2087990 | 0.66 | HTT (0.65) | NPSR1KDRKDM4ESMN1; SMN2CDC7 | |
| SCHEMBL27808272 | 0.66 | IDO1 (0.51) | KDM4ESMN1; SMN2ALDH1A1GAAMAPT | |
| SCHEMBL16625628 | 0.66 | KDR (0.84) | KDRKDM4EALDH1A1LMNAGAA | |
| SCHEMBL16989282 | 0.66 | KLKB1 (0.46) | BDKRB1KDM4EASPHKDM8ALDH1A1 | |
| SCHEMBL517 | 0.66 | SLC6A3 (0.50) | ACHESMN1; SMN2ALDH1A1LMNACYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2410857-B1 | P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN | MERCK SHARP & DOHME (US) | 2014-01-29 | — | — | EP | disclosed |