Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5211566 | 0.99 | ALDH1A1 (0.47) | ALDH1A1HTR1ATSHRKDM4EAVPR1A | |
| Hydrochloric Acid SCHEMBL5211577 | 0.99 | ALDH1A1 (0.47) | ALDH1A1HTR1ATSHRKDM4EAVPR1A | |
| SCHEMBL5219741 | 0.90 | AVPR1A (0.56) | ALDH1A1HTR1AKDM4EAVPR1ALMNA | |
| Hydrochloric Acid SCHEMBL5211525 | 0.89 | AVPR1A (0.55) | ALDH1A1HTR1AKDM4EAVPR1ALMNA | |
| Hydrochloric Acid SCHEMBL5211533 | 0.89 | AVPR1A (0.55) | ALDH1A1HTR1AKDM4EAVPR1ALMNA | |
| Hydrochloric Acid SCHEMBL5694628 | 0.79 | AVPR1A (0.55) | ALDH1A1HTR1ATSHRKDM4EAVPR1A | |
| Hydrochloric Acid SCHEMBL5694631 | 0.79 | AVPR1A (0.55) | ALDH1A1HTR1ATSHRKDM4EAVPR1A | |
| SCHEMBL5212793 | 0.71 | MEN1 (0.50) | ALDH1A1HTR1ATSHRKDM4EPOLB | |
| SCHEMBL5212381 | 0.70 | HTR1A (0.40) | ALDH1A1HTR1ATSHRKDM4EAVPR1A | |
| SCHEMBL5212390 | 0.70 | HTR1A (0.40) | ALDH1A1HTR1ATSHRKDM4EAVPR1A |
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-B1 | TRIAZOLE COMPOUNDS FOR THE TREATMENT OF DYSMENORRHOEA | PFIZER LTD (GB) | 2007-07-18 | — | — | EP | claimed |
| WO-2004037809-A1 | TRIAZOLE COMPOUNDS FOR THE TREATMENT OF DYSMENORRHOEA | PFIZER LIMITED (GB) | 2004-05-06 | — | — | WO | disclosed |