Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.70 |
| ▸ | RECQL | P46063 | 1/20 | 0.70 |
| ▸ | KCNA3 | P22001 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | CASP6 | P55212 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | PPARD | Q03181 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9041514 | 0.90 | ALDH1A1 (0.58) | ALDH1A1RECQLKCNA3MAPTGAA | |
| Phenoxyethanol SCHEMBL27476573 | 0.84 | ALDH1A1 (1.00) | ALDH1A1RECQLKCNA3GAAPKM | |
| Phenoxyethanol SCHEMBL167128 | 0.84 | ALDH1A1 (1.00) | ALDH1A1RECQLKCNA3GAAPKM | |
| Phenoxyethanol SCHEMBL15708 | 0.84 | ALDH1A1 (1.00) | ALDH1A1RECQLKCNA3GAAPKM | |
| Phenoxyethanol SCHEMBL9349725 | 0.84 | ALDH1A1 (1.00) | ALDH1A1RECQLKCNA3GAAPKM | |
| SCHEMBL9042574 | 0.83 | GAA (0.57) | ALDH1A1RECQLMAPTRAB9AGAA | |
| SCHEMBL15501199 | 0.83 | KDM4E (0.53) | ALDH1A1RECQLMAPTRAB9APOLB | |
| SCHEMBL9043854 | 0.82 | ALOX5 (0.51) | ALDH1A1RECQLMAPTMEN1KMT2A | |
| Phenoxyethanol SCHEMBL12613523 | 0.82 | ALDH1A1 (0.95) | ALDH1A1RECQLKCNA3GAAPKM | |
| Phenoxyethanol SCHEMBL21803704 | 0.82 | ALDH1A1 (0.95) | ALDH1A1RECQLKCNA3GAAPKM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5344843-A | Carnitine acryltransferase enzyme inhibitors as antiischemic agents and for cardiovascular disorders | HOFFMAN-LA ROCHE INC. (US) | 1994-09-06 | — | — | US | disclosed |
| EP-0512352-A2 | Substituted carboxylic acid derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1992-11-11 | — | — | EP | disclosed |