Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 3/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.43 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.43 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.43 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.43 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.43 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.43 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.43 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.43 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.43 |
| ▸ | CYP4F8 | P98187 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6189588 | 0.83 | CYP1A1 (0.51) | CYP1A1CYP1B1CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL8530661 | 0.79 | THRB (0.41) | ARADORA1ALDH1A1SNCAHPGDS | |
| SCHEMBL8532282 | 0.78 | CYP1A1 (0.46) | CYP1A1CYP1B1CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL8530284 | 0.75 | KMT2A (0.46) | CYP1A1CYP1B1CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL5324006 | 0.74 | CYP1A1 (0.53) | CYP1A1CYP1B1CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL29815731 | 0.72 | CYP1A1 (0.47) | CYP1A1CYP1B1CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL194146 | 0.72 | CYP1A1 (0.47) | CYP1A1CYP1B1CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL9509841 | 0.71 | TLR9 (0.42) | CYP1A1CYP1B1CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL1819607 | 0.70 | MEN1 (0.41) | ARALDH1A1NAAA | |
| SCHEMBL15821233 | 0.70 | THRB (0.41) | CYP1A1CYP1B1CYP3A4SNCAHPGDS |
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 |
|---|---|---|---|---|---|---|---|
| US-5749925-A | Dyeing or printing process with new and known cationic 4,5-dihydro-iH-1,2,3-triazolium compounds as dyestuffs and new cationic 4,5-dihydro-1H-1,2,3-triazolium compounds | BAYER AKTIENGESELLSCHAFT (DE) | 1998-05-12 | — | — | US | disclosed |