Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.44 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.44 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 4/20 | 0.44 |
| ▸ | CA1 | P00915 | 4/20 | 0.44 |
| ▸ | CA2 | P00918 | 4/20 | 0.44 |
| ▸ | CA7 | P43166 | 4/20 | 0.44 |
| ▸ | CA9 | Q16790 | 4/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | PREP | P48147 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 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 | |
|---|---|---|---|---|
| SCHEMBL17863579 | 0.91 | ALDH1A1 (0.48) | CYP3A4ALDH1A1LMNACYP1A2PGR | |
| SCHEMBL27601383 | 0.83 | ALDH1A1 (0.43) | CYP3A4ALDH1A1LMNACYP2D6CYP2C9 | |
| SCHEMBL5083630 | 0.83 | LMNA (0.48) | CYP3A4ALDH1A1LMNATDP1TSHR | |
| SCHEMBL51763 | 0.83 | ESR1 (0.52) | ESR1ESR2PDCD1CD274CA12 | |
| SCHEMBL8068274 | 0.82 | CYP3A4 (0.51) | ESR1ESR2PDCD1CD274CA12 | |
| SCHEMBL7190351 | 0.81 | ESR1 (0.43) | ESR1ESR2PDCD1CD274CA12 | |
| SCHEMBL29111130 | 0.81 | ESR1 (0.48) | ESR1ESR2PDCD1CD274CA12 | |
| SCHEMBL27918530 | 0.81 | HDAC3 (0.42) | CYP3A4ALDH1A1MAPTLMNA | |
| SCHEMBL27918555 | 0.81 | BRD4 (0.52) | CYP3A4ALDH1A1LMNACYP1A2ADORA3 | |
| SCHEMBL27937248 | 0.81 | CYP1A2 (0.52) | CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C9 |
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-3996291-A | Process for the production of 4-hydroxy-3,5-dibromobenzaldehyde | CIBA-GEIGY CORPORATION (US) | 1976-12-07 | — | — | US | disclosed |