Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | CCR2 | P41597 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12104293 | 0.83 | SLC6A4 (0.33) | CYP3A4HTR6SLC6A4CYP1A2ALDH1A1 | |
| SCHEMBL248662 | 0.83 | SLC6A4 (0.53) | CYP3A4HTR6SLC6A4CYP1A2ALDH1A1 | |
| SCHEMBL27066 | 0.81 | CYP3A4 (0.50) | CYP3A4SLC6A4CYP1A2ALDH1A1HPGD | |
| SCHEMBL29405309 | 0.81 | CYP3A4 (0.50) | CYP3A4SLC6A4CYP1A2ALDH1A1HPGD | |
| SCHEMBL4749769 | 0.80 | HTR6 (0.39) | CYP3A4HTR6MTNR1ASLC6A4CYP1A2 | |
| SCHEMBL19611023 | 0.78 | CYP3A4 (0.45) | CYP3A4ALDH1A1HPGDTDP1HSD17B10 | |
| SCHEMBL22210 | 0.77 | CYP3A4 (0.62) | CYP3A4SLC6A4CYP1A2ALDH1A1HPGD | |
| SCHEMBL29370250 | 0.77 | CYP3A4 (0.62) | CYP3A4SLC6A4CYP1A2ALDH1A1HPGD | |
| SCHEMBL11382980 | 0.75 | CYP3A4 (0.45) | CYP3A4SLC6A4CYP1A2ALDH1A1HPGD | |
| SCHEMBL28189098 | 0.75 | CYP3A4 (0.45) | CYP3A4SLC6A4CYP1A2ALDH1A1HPGD |
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-3281941-A1 | PROCESS FOR PREPARING 2-(5-BROMO-4-(1-CYCLOPROPYLNAPHTHALEN-4-YL)-4H-1,2,4-TRIAZOL-3-YLTHIO)ACETIC ACID | Zentiva K.S. (CZ) | 2018-02-14 | — | — | EP | disclosed |