Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | DGKA | P23743 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.38 |
| ▸ | PAM | P19021 | 2/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | MGLL | Q99685 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12662617 | 1.00 | ALDH1A1 (0.52) | ALDH1A1TSHRDGKACES2CES1 | |
| SCHEMBL8744187 | 1.00 | ALDH1A1 (0.52) | ALDH1A1TSHRDGKACES2CES1 | |
| SCHEMBL28158347 | 0.93 | ALDH1A1 (0.46) | ALDH1A1TSHRDGKACES2CES1 | |
| SCHEMBL873582 | 0.91 | ALDH1A1 (0.44) | ALDH1A1TSHRDGKANR1I2PGR | |
| SCHEMBL873581 | 0.91 | ALDH1A1 (0.44) | ALDH1A1TSHRDGKANR1I2PGR | |
| SCHEMBL1695438 | 0.91 | ALDH1A1 (0.48) | ALDH1A1TSHRDGKACES2CES1 | |
| SCHEMBL2436353 | 0.91 | ALDH1A1 (0.48) | ALDH1A1TSHRDGKACES2CES1 | |
| SCHEMBL18894521 | 0.89 | ALDH1A1 (0.46) | ALDH1A1TSHRDGKACES2CES1 | |
| SCHEMBL29119254 | 0.88 | MGLL (0.49) | ALDH1A1TSHRDGKANR1I2PGR | |
| SCHEMBL29539414 | 0.88 | MGLL (0.49) | ALDH1A1TSHRDGKANR1I2PGR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4544767-A | HYDROGENATION CATALYST | PHILLIPS PETROLEUM COMPANY (US) | 1985-10-01 | — | — | US | claimed |
| US-7884281-B2 | electroconductive polymers, electron acceptors and an antenna porphyrin aggregates, used in solar cells having solar radiation usage efficiency and exhibits stability | SONY CORPORATION (JP) | 2011-02-08 | — | — | US | disclosed |
| EP-0612720-B1 | Process for producing 1,4-dicyano-2-butene | SUMITOMO CHEMICAL CO (JP) | 1997-01-08 | — | — | EP | disclosed |
| US-5463103-A | Reacting butene derivative with hydrogen cyanide in presence of catalyst prepared from cuprous halide, lower alkylamine hydrohalide and Lewis acid or basic acetate, carbonate or bicarbonate | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1995-10-31 | — | — | US | disclosed |
| EP-0612720-A1 | Process for producing 1,4-dicyano-2-butene | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1994-08-31 | — | — | EP | disclosed |
| US-4544767-A | HYDROGENATION CATALYST | PHILLIPS PETROLEUM COMPANY (US) | 1985-10-01 | — | — | US | disclosed |