Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C2 | P52895 | 1/20 | 0.51 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.51 |
| ▸ | ESR1 | P03372 | 6/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.50 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.50 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.50 |
| ▸ | ABL1 | P00519 | 3/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.45 |
| ▸ | BCR | P11274 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | MMP3 | P08254 | 1/20 | 0.41 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL303515 | 0.93 | ESR1 (0.56) | AKR1C2AKR1C1ESR1ESR2PDCD1 | |
| SCHEMBL1338710 | 0.81 | AKR1C2 (0.42) | AKR1C2AKR1C1ESR1ESR2PDCD1 | |
| SCHEMBL17602077 | 0.80 | ESR1 (0.43) | AKR1C2AKR1C1ESR1ESR2PDCD1 | |
| SCHEMBL8750554 | 0.80 | PTGS2 (0.50) | AKR1C2AKR1C1PDCD1CD274CYP17A1 | |
| SCHEMBL7146307 | 0.78 | TDP1 (0.48) | AKR1C2AKR1C1CYP3A4CYP11B1CYP11B2 | |
| SCHEMBL25628480 | 0.78 | MAPK1 (0.50) | AKR1C2AKR1C1ESR2ABL1ABCB1 | |
| SCHEMBL17789898 | 0.78 | ESR1 (0.50) | ESR1ESR2PDCD1CD274CYP3A4 | |
| Methoxymethane SCHEMBL9478009 | 0.77 | ESR1 (0.54) | ESR1ESR2PDCD1CD274CYP3A4 | |
| SCHEMBL23387529 | 0.77 | ESR1 (0.59) | ESR1ESR2PDCD1CD274ABL1 | |
| SCHEMBL6563988 | 0.77 | ESR1 (0.84) | ESR1ESR2PDCD1CD274ABL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0288297-B1 | OPTICALLY ACTIVE BENZENE DERIVATIVES AND PROCESS FOR PREPARATION THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1993-03-17 | — | — | EP | disclosed |
| US-4985590-A | Optically active benzene derivatives and process for preparation thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1991-01-15 | — | — | US | disclosed |