Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 6/20 | 0.39 |
| ▸ | RET | P07949 | 1/20 | 0.38 |
| ▸ | KIF5B | P33176 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.33 |
| ▸ | TYR | P14679 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6231601 | 0.85 | TRPA1 (0.41) | TRPA1CYP1A2IDO1 | |
| SCHEMBL10344850 | 0.80 | TRPA1 (0.48) | TRPA1RETKIF5BKDRCYP1A2 | |
| SCHEMBL10345006 | 0.78 | GRM4 (0.37) | TRPA1CYP1A2HCAR1ALDH1A1GPR84 | |
| SCHEMBL10625450 | 0.78 | TRPA1 (0.49) | TRPA1CYP1A2 | |
| SCHEMBL10345206 | 0.74 | CA12 (0.50) | CA12CA1CA9TRPA1CYP1A2 | |
| SCHEMBL21449750 | 0.74 | TRPA1 (0.35) | TRPA1CYP1A2IDO1GPR84 | |
| SCHEMBL5514489 | 0.74 | CA12 (0.55) | CA12CA1CA9RETKIF5B | |
| SCHEMBL9187399 | 0.73 | GPR84 (0.51) | GPR84 | |
| SCHEMBL4424661 | 0.72 | ALDH1A1 (0.48) | CA12CA9CYP1A2ALDH1A1 | |
| SCHEMBL13736518 | 0.72 | PGR (0.39) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0144195-B1 | SQUARAINE COMPOSITIONS | XEROX CORPORATION (US) | 1990-04-11 | — | — | EP | disclosed |
| US-4552822-A | Photoconductive devices with hydroxy containing squaraine compositions | XEROX CORPORATION (US) | 1985-11-12 | — | — | US | disclosed |
| US-4524218-A | FROM SQUARIC ACID AN AROMATIC AMINE, AND A PHENOL OR PHENOL SWUARINE | XEROX CORPORATION (US) | 1985-06-18 | — | — | US | disclosed |
| EP-0144195-A2 | Squaraine compositions | XEROX CORPORATION (US) | 1985-06-12 | — | — | EP | disclosed |