Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.51 |
| ▸ | CCR6 | P51684 | 1/20 | 0.49 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP12 | P39900 | 1/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13049197 | 0.90 | CCR6 (0.50) | ALDH1A1CCR6PAX8MAPK1TDP1 | |
| SCHEMBL3083608 | 0.89 | CCR6 (0.58) | ALDH1A1CCR6PAX8MAPK1TDP1 | |
| SCHEMBL16488805 | 0.89 | CCR6 (0.47) | ALDH1A1CCR6PAX8MAPK1TDP1 | |
| SCHEMBL18594775 | 0.86 | CCR6 (0.52) | ALDH1A1CCR6PAX8MAPK1TDP1 | |
| SCHEMBL15183633 | 0.85 | ALOX5 (0.49) | ALDH1A1CCR6PAX8MAPK1L3MBTL1 | |
| Carbamic Acid SCHEMBL25282587 | 0.85 | CCR6 (0.55) | ALDH1A1CCR6PAX8MAPK1TDP1 | |
| SCHEMBL8900957 | 0.85 | CCR6 (0.51) | ALDH1A1CCR6PAX8MAPK1TDP1 | |
| SCHEMBL4692471 | 0.85 | ALDH1A1 (0.54) | ALDH1A1CCR6PAX8MAPK1TDP1 | |
| SCHEMBL18057682 | 0.84 | CCR6 (0.60) | ALDH1A1CCR6PAX8MAPK1TDP1 | |
| SCHEMBL13661129 | 0.84 | CCR6 (0.57) | ALDH1A1CCR6PAX8MAPK1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005082866-A2 | SUBSTITUTED 1, 2, 4- TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS | PFIZER LIMITED (GB) | 2005-09-09 | — | — | WO | disclosed |