Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CNR1 | P21554 | 3/20 | 0.45 |
| ▸ | CNR2 | P34972 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NR3C2 | P08235 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8119699 | 0.92 | CYP3A4 (0.52) | ESR1ESR2CYP3A4ALDH1A1TDP1 | |
| SCHEMBL10447989 | 0.90 | ESR1 (0.53) | ESR1ESR2CYP3A4ALDH1A1CNR1 | |
| SCHEMBL2385022 | 0.89 | CYP3A4 (0.54) | ESR1ESR2CYP3A4ALDH1A1TDP1 | |
| SCHEMBL30295289 | 0.89 | CYP3A4 (0.54) | ESR1ESR2CYP3A4ALDH1A1TDP1 | |
| SCHEMBL30806190 | 0.89 | CYP3A4 (0.54) | ESR1ESR2CYP3A4ALDH1A1TDP1 | |
| SCHEMBL7251967 | 0.86 | ESR1 (0.52) | ESR1ESR2CYP3A4ALDH1A1CNR1 | |
| SCHEMBL11301815 | 0.86 | ESR1 (0.47) | ESR1ESR2CYP3A4ALDH1A1TDP1 | |
| SCHEMBL11023211 | 0.85 | ESR1 (0.47) | ESR1ESR2CYP3A4ALDH1A1CNR1 | |
| SCHEMBL22044361 | 0.84 | ESR1 (0.61) | ESR1ESR2CYP3A4ALDH1A1TDP1 | |
| SCHEMBL25162017 | 0.83 | ESR1 (0.48) | ESR1ESR2CYP3A4ALDH1A1TDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0069065-B1 | PROCESS FOR THE ALKYLATION OR ARALKYLATION OF AROMATIC AMINES | CIBA-GEIGY AG (CH) | 1985-02-13 | — | — | EP | disclosed |
| US-4436936-A | ACID CATALYSTS | CIBA-GEIGY CORPORATION (US) | 1984-03-13 | — | — | US | disclosed |
| EP-0069065-A1 | Process for the alkylation or aralkylation of aromatic amines | CIBA-GEIGY AG (CH) | 1983-01-05 | — | — | EP | disclosed |