Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.61 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.54 |
| ▸ | HPGD | P15428 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.46 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.46 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | GGT1 | P19440 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11284614 | 0.88 | HSD17B10 (0.62) | ESR1ESR2HSD17B10KDM4EHPGD | |
| SCHEMBL11121859 | 0.85 | HSD17B10 (0.58) | ESR1ESR2HSD17B10KDM4EHPGD | |
| SCHEMBL11871223 | 0.85 | MAPT (0.59) | ESR1ESR2HSD17B10HPGDALDH1A1 | |
| SCHEMBL4846409 | 0.84 | ESR1 (0.69) | ESR1ESR2HSD17B10KDM4EHPGD | |
| SCHEMBL9435811 | 0.84 | CA12 (0.53) | ESR1ESR2ALDH1A1LMNATDP1 | |
| SCHEMBL687865 | 0.83 | KMT2A (0.56) | ESR1ESR2HSD17B10KDM4EALDH1A1 | |
| Phthalic Acid SCHEMBL8765730 | 0.81 | PARP10 (0.57) | ESR1ESR2HSD17B10HPGDALDH1A1 | |
| SCHEMBL1979275 | 0.80 | SLC6A3 (0.71) | ESR1ESR2HSD17B10KDM4EHPGD | |
| SCHEMBL30505635 | 0.80 | SLC6A3 (0.71) | ESR1ESR2HSD17B10KDM4EHPGD | |
| SCHEMBL7769807 | 0.80 | ALDH1A1 (0.62) | ESR1ESR2HSD17B10KDM4EHPGD |
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-4536562-A | P-HYDROXYBENZOIC ACID, ISOPHTHALIC AND/OR TEREPHTHALIC ACID, HYDROQUINONE AND MONOSUBSDTITUTED HYDROQUINONE | MONSANTO COMPANY (US) | 1985-08-20 | — | — | US | disclosed |