Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 5/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.45 |
| ▸ | CYP4B1 | P13584 | 3/20 | 0.45 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.45 |
| ▸ | CYP3A5 | P20815 | 3/20 | 0.45 |
| ▸ | CYP2A7 | P20853 | 3/20 | 0.45 |
| ▸ | CYP3A7 | P24462 | 3/20 | 0.45 |
| ▸ | CYP2F1 | P24903 | 3/20 | 0.45 |
| ▸ | CYP2C18 | P33260 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | CYP2J2 | P51589 | 3/20 | 0.45 |
| ▸ | CYP4F2 | P78329 | 3/20 | 0.45 |
| ▸ | CYP4F8 | P98187 | 3/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL17514750 | 0.87 | CYP1A1 (0.41) | CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL15066961 | 0.85 | ALDH1A1 (0.41) | CYP1A1CYP1B1CYP1A2CYP3A4CYP2A6 | |
| SCHEMBL323109 | 0.85 | DYRK1A (0.49) | CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL459934 | 0.84 | CA12 (0.44) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL17514461 | 0.83 | CYP1A1 (0.41) | CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL7033071 | 0.82 | CA4 (0.43) | CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL5622659 | 0.81 | ACHE (0.45) | ALDH1A1HSD17B1HSD17B2NPC1RAB9A | |
| SCHEMBL11205461 | 0.79 | APP (0.39) | ABL1ABCB1BCRHSD17B1HSD17B2 | |
| SCHEMBL8327622 | 0.79 | MAOB (0.43) | CYP1A1CYP1B1ALDH1A1NPC1RAB9A | |
| SCHEMBL4468568 | 0.79 | MEN1 (0.40) | HSD17B1HSD17B2RAB9A |
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 |