Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7467880 | 0.89 | CYP1A2 (0.42) | CYP2A6CYP1A2ALDH1A1HSD17B10HPGD | |
| SCHEMBL27633239 | 0.88 | CYP1A2 (0.48) | CYP2A6CYP1A2ALDH1A1HSD17B10HPGD | |
| SCHEMBL8588261 | 0.85 | CYP1A2 (0.40) | CYP2A6CYP1A2ALDH1A1HSD17B10HPGD | |
| SCHEMBL7467805 | 0.85 | CYP2A6 (0.47) | CYP2A6CYP1A2ALDH1A1TDP1NPC1 | |
| SCHEMBL13994382 | 0.84 | CYP1A2 (0.48) | CYP2A6CYP1A2ALDH1A1HSD17B10HPGD | |
| SCHEMBL7465364 | 0.83 | CYP1A2 (0.40) | CYP2A6CYP1A2ALDH1A1HSD17B10HPGD | |
| SCHEMBL13994403 | 0.81 | CYP1A2 (0.46) | CYP2A6CYP1A2ALDH1A1HSD17B10HPGD | |
| SCHEMBL8154500 | 0.81 | CYP1A2 (0.46) | CYP2A6CYP1A2ALDH1A1HSD17B10HPGD | |
| SCHEMBL8154503 | 0.80 | CYP1A2 (0.44) | CYP2A6CYP1A2ALDH1A1HSD17B10HPGD | |
| SCHEMBL21517106 | 0.80 | CYP1A2 (0.48) | CYP2A6CYP1A2ALDH1A1HSD17B10HPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-6210863-B1 | ORTHO-SUBSTITUTED ON AT LEAST TWO ARYL RADICALS, ADDITION POLYMERIZATION | CIBA SPECIALTY CHEMICALS CORPORATION | 2001-04-03 | — | — | US | disclosed |
| US-5952152-A | POLYMERIZABLE MIXTURE COMPRISING AT LEAST ONE ETHYLENICALLY UNSATURATED COMPOUND AND AN ANIONIC BORON COMPOUND ACTIVATOR | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 1999-09-14 | — | — | US | disclosed |