Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OXTR | P30559 | 2/20 | 0.52 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.50 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.50 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.50 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | TNKS | O95271 | 1/20 | 0.44 |
| ▸ | AXIN2 | Q9Y2T1 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL11285464 | 0.80 | AVPR1A (0.51) | OXTRAVPR1AGAAALDH1A1HTT | |
| SCHEMBL17982136 | 0.75 | ALDH1A1 (0.54) | GAANPC1ALDH1A1HTTL3MBTL1 | |
| SCHEMBL2551450 | 0.75 | OXTR (0.56) | OXTRAVPR2AVPR1AGAAPOLB | |
| SCHEMBL30366678 | 0.73 | CYP3A4 (0.63) | OXTRGAAPOLBCYP3A4CYP2C9 | |
| SCHEMBL10515467 | 0.73 | NPC1 (0.57) | TLR8P2RX7GAACYP3A4CYP2C9 | |
| SCHEMBL8879929 | 0.71 | ALDH1A1 (0.61) | P2RX7GAACYP3A4ALDH1A1HTT | |
| Hydrochloric Acid SCHEMBL11375354 | 0.71 | TLR8 (0.57) | OXTRTLR8AVPR2AVPR1AGAA | |
| SCHEMBL9422988 | 0.70 | OXTR (0.58) | OXTRAVPR2AVPR1AALDH1A1HTT | |
| SCHEMBL28496152 | 0.69 | TLR8 (0.68) | TLR8P2RX7GAANPC1ALDH1A1 | |
| SCHEMBL930548 | 0.69 | OXTR (0.74) | OXTRAVPR2AVPR1ATNKS2CYP3A4 |
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-0176444-A1 | Process for the preparation of derivatives of 4H-1,2,4-triazole, triazoles so obtained, their use as medicaments, and pharmaceutical compositons containing them | ROUSSEL-UCLAF (FR) | 1986-04-02 | — | — | EP | disclosed |