Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | CA7 | P43166 | 1/20 | 0.56 |
| ▸ | CA9 | Q16790 | 1/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.56 |
| ▸ | CYP1B1 | Q16678 | 8/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.48 |
| ▸ | CYP1A1 | P04798 | 7/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1485824 | 0.83 | CA12 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1547455 | 0.81 | CA12 (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28571690 | 0.79 | CA12 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8589460 | 0.79 | CA12 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL147963 | 0.79 | CYP1B1 (0.59) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10279315 | 0.79 | CA12 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL222435 | 0.76 | CA12 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29825539 | 0.76 | CA12 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL703276 | 0.75 | ALDH1A1 (0.71) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29541267 | 0.75 | ALDH1A1 (0.71) | CA12CA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998037150-A1 | TRIFLUOROMETHYL-SUBSTITUTED AZO DYES | BASF AKTIENGESELLSCHAFT (DE) | 1998-08-27 | — | — | WO | disclosed |