Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | AKT1 | P31749 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6184868 | 1.00 | ALDH1A1 (0.41) | ALDH1A1KDM4EPOLBTSHRHPGD | |
| SCHEMBL6184874 | 1.00 | ALDH1A1 (0.41) | ALDH1A1KDM4EPOLBTSHRHPGD | |
| SCHEMBL5101802 | 0.76 | USP30 (0.41) | ALDH1A1KDM4ETSHRHPGDUSP30 | |
| SCHEMBL5006682 | 0.73 | MAPT (0.52) | ALDH1A1KDM4EHTTKMT2A | |
| SCHEMBL5216732 | 0.73 | USP30 (0.39) | ALDH1A1KDM4ESMN1; SMN2USP30CYP2C19 | |
| SCHEMBL5211759 | 0.73 | AVPR1A (0.58) | ALDH1A1HTTAKT1CYP2D6MCHR1 | |
| SCHEMBL8357150 | 0.71 | ENPP2 (0.34) | ALDH1A1KDM4EPOLBHTTKMT2A | |
| SCHEMBL5006729 | 0.70 | AVPR1A (0.60) | ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL5008938 | 0.69 | OGA (0.48) | ALDH1A1KDM4ETSHRUSP30CYP2C19 | |
| SCHEMBL6972471 | 0.66 | ALDH1A1 (0.61) | ALDH1A1KDM4EPOLBTSHRHPGD |
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-1558598-A1 | TRIAZOLE COMPOUNDS FOR THE TREATMENT OF DYSMENORRHOEA | Pfizer Limited (GB) | 2005-08-03 | — | — | EP | disclosed |
| WO-2004037809-A1 | TRIAZOLE COMPOUNDS FOR THE TREATMENT OF DYSMENORRHOEA | PFIZER LIMITED (GB) | 2004-05-06 | — | — | WO | disclosed |