Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 6/20 | 0.41 |
| ▸ | CA1 | P00915 | 6/20 | 0.41 |
| ▸ | CA2 | P00918 | 6/20 | 0.41 |
| ▸ | CA7 | P43166 | 6/20 | 0.41 |
| ▸ | CA9 | Q16790 | 6/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CFTR | P13569 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL7590145 | 0.86 | L3MBTL1 (0.39) | ALDH1A1CES2CFTRPKM | |
| SCHEMBL7595315 | 0.83 | ALDH1A1 (0.39) | ALDH1A1CFTR | |
| SCHEMBL7595297 | 0.81 | CFTR (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7595676 | 0.80 | ALDH1A1 (0.49) | KDM4EALDH1A1NPC1MAPT | |
| SCHEMBL7591648 | 0.79 | AR (0.37) | CES2CFTRSOS1 | |
| SCHEMBL7592823 | 0.78 | ALDH1A1 (0.42) | KDM4EALDH1A1HSD17B10PKM | |
| SCHEMBL7593446 | 0.77 | TSHR (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL16628377 | 0.76 | CA12 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7591337 | 0.75 | ALDH1A1 (0.47) | PDK2KDM4EALDH1A1HSD17B10 | |
| SCHEMBL20332068 | 0.74 | MAPT (0.49) | 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 |
|---|---|---|---|---|---|---|---|
| EP-0968994-B1 | PROCESS FOR PRODUCING SUBSTITUTED TRIFLUOROBENZOIC ACIDS AND ESTERS THEREOF | UBE INDUSTRIES (JP) | 2002-11-06 | — | — | EP | claimed |