Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CYP4A11 | Q02928 | 5/20 | 0.47 |
| ▸ | CYP4F2 | P78329 | 4/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 3/20 | 0.41 |
| ▸ | THRA | P10827 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6704209 | 0.88 | THRB (0.44) | THRBTHRAHSD17B10KMT2A | |
| SCHEMBL10615003 | 0.84 | THRA (0.55) | CYP4A11CYP4F2THRBTHRAKDM4E | |
| SCHEMBL1363306 | 0.82 | THRB (0.55) | CA2THRBTHRAKDM4EALDH1A1 | |
| SCHEMBL1066908 | 0.81 | PRSS1 (0.48) | CA2CA12CA1CA4CA6 | |
| SCHEMBL9806339 | 0.80 | HDAC1 (0.50) | TDP1ALDH1A1 | |
| SCHEMBL18905529 | 0.80 | THRB (0.40) | THRBTHRAHSD17B10KMT2A | |
| SCHEMBL17384891 | 0.79 | TDP1 (0.54) | CA2CYP4A11CYP4F2TDP1CA12 | |
| SCHEMBL12243079 | 0.78 | PTGS1 (0.48) | TDP1ALDH1A1GAAMAPT | |
| SCHEMBL10433279 | 0.78 | KCNH2 (0.40) | CYP4A11CYP4F2THRBTHRAALDH1A1 | |
| SCHEMBL2536910 | 0.78 | THRA (0.59) | CA2CA1THRBTHRAKDM4E |
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-2009137412-A1 | THERAPEUTIC COMPOUNDS | ALLERGAN, INC. (US) | 2009-11-12 | — | — | WO | disclosed |