Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR7 | P34969 | 5/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | HTR2B | P41595 | 2/20 | 0.38 |
| ▸ | HTR1D | P28221 | 1/20 | 0.38 |
| ▸ | HTR1B | P28222 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11133752 | 0.85 | CA1 (0.50) | ESR1ALDH1A1AOC3CA12CA1 | |
| SCHEMBL5604874 | 0.83 | ESR1 (0.46) | ESR1ALDH1A1AOC3CA12CA1 | |
| SCHEMBL11456399 | 0.83 | ESR1 (0.42) | HTR7ESR1ALDH1A1AOC3CA12 | |
| Nitrogen SCHEMBL4600860 | 0.82 | ESR1 (0.46) | ESR1ALDH1A1AOC3CA12CA1 | |
| SCHEMBL24596957 | 0.80 | HTR7 (0.50) | HTR7ALDH1A1AOC3CA12CA1 | |
| SCHEMBL11415049 | 0.79 | AOC3 (0.44) | ALDH1A1AOC3CA12CA1CA2 | |
| SCHEMBL11412933 | 0.79 | ACHE (0.43) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL10690592 | 0.78 | CA12 (0.46) | ESR1ALDH1A1AOC3CA12CA1 | |
| SCHEMBL11674821 | 0.78 | MEN1 (0.44) | HTR7ESR1ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL10428522 | 0.76 | CA1 (0.48) | HTR7ESR1ALDH1A1AOC3CA12 |
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 |
|---|---|---|---|---|---|---|---|
| US-4002631-A | HEAT-SENSITIVE COLOR FORMERS | HODOGAYA CHEMICAL CO., LTD. (JA) | 1977-01-11 | — | — | US | disclosed |