Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | PGK1 | P00558 | 1/20 | 0.38 |
| ▸ | PGK2 | P07205 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 3/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
| ▸ | SLC11A2 | P49281 | 1/20 | 0.34 |
| ▸ | SELL | P14151 | 1/20 | 0.33 |
| ▸ | SELP | P16109 | 1/20 | 0.33 |
| ▸ | SELE | P16581 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | SIRT1 | Q96EB6 | 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 | |
|---|---|---|---|---|
| SCHEMBL5677859 | 0.90 | ESR1 (0.43) | ESR1ESR2ALDH1A1CA1CA2 | |
| SCHEMBL2047102 | 0.87 | PGK1 (0.39) | ESR1ESR2ALDH1A1CA1CA2 | |
| SCHEMBL25328049 | 0.84 | ESR1 (0.43) | ESR1ESR2ALDH1A1CA1CA2 | |
| SCHEMBL31092524 | 0.84 | ESR1 (0.43) | ESR1ESR2ALDH1A1CA1CA2 | |
| SCHEMBL13753712 | 0.82 | ESR1 (0.41) | ESR1ESR2ALDH1A1CA1CA2 | |
| SCHEMBL30523817 | 0.82 | ESR1 (0.41) | ESR1ESR2ALDH1A1CA1CA2 | |
| SCHEMBL4135611 | 0.81 | ALDH1A1 (0.43) | ESR1ESR2ALDH1A1CA1CA2 | |
| SCHEMBL13736318 | 0.80 | ACHE (0.39) | ESR1ESR2ALDH1A1CA1CA2 | |
| SCHEMBL25328650 | 0.79 | ESR1 (0.43) | ESR1ESR2ALDH1A1CA1CA2 | |
| SCHEMBL30523819 | 0.79 | ESR1 (0.43) | ESR1ESR2ALDH1A1CA1CA2 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0733695-A1 | Mannich base derivatives, and the production and uses thereof | ETHYL CORPORATION (US) | 1996-09-25 | — | — | EP | disclosed |
| US-5558683-A | FUEL ADDITIVE | ETHYL CORPORATION (US) | 1996-09-24 | — | — | US | disclosed |
| US-5387266-A | Detergent-dispersant additives for fuels and lubricants | ETHYL CORPORATION (US) | 1995-02-07 | — | — | US | disclosed |
| US-4656310-A | ANTITUMOR AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1987-04-07 | — | — | US | disclosed |
| US-4532355-A | Substituted triaryl phosphonium derivatives | HOFFMANN-LA ROCHE INC. (US) | 1985-07-30 | — | — | US | disclosed |
| US-4319048-A | ANTITUMOR AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1982-03-09 | — | — | US | disclosed |
| US-4281204-A | ALKYLATION, DECARBOXYLATION TO CYCLIZE | FRITZSCHE DODGE & OLCOTT INC. (US) | 1981-07-28 | — | — | US | disclosed |
| US-4261866-A | PERFUMES AND PERFUME FIXATIVES | FRITZSCHE DODGE & OLCOTT INC. (US) | 1981-04-14 | — | — | US | disclosed |
| US-4224244-A | ANTITUMOR AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1980-09-23 | — | — | US | disclosed |
| US-4215215-A | 9-Phenyl-nonate traene compounds | HOFFMANN-LA ROCHE INC. (US) | 1980-07-29 | — | — | US | disclosed |
| US-4203925-A | Process for the production of spirodienones and spirocyclic ketones | FRITZSCHE DODGE & OLCOTT INC. (US) | 1980-05-20 | — | — | US | disclosed |
| US-4105681-A | ANTITUMOR AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1978-08-08 | — | — | US | disclosed |