Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.55 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.55 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL15134813 | 0.93 | ESR1 (0.55) | ESR1ESR2CYP19A1CYP3A4CYP2D6 | |
| SCHEMBL1760733 | 0.86 | ESR1 (0.59) | ESR1ESR2CYP19A1MTNR1AMTNR1B | |
| SCHEMBL8679593 | 0.85 | ESR1 (0.58) | ESR1ESR2CYP19A1TDP1MTNR1A | |
| Hydrogen Peroxide SCHEMBL9456548 | 0.84 | ESR1 (0.62) | ESR1ESR2CYP19A1MTNR1AMTNR1B | |
| Ammonia Solution, Strong SCHEMBL7275238 | 0.84 | ESR1 (0.57) | ESR1ESR2CYP19A1MTNR1AMTNR1B | |
| Hydrochloric Acid SCHEMBL7265520 | 0.82 | ESR1 (0.55) | ESR1ESR2CYP19A1MTNR1AMTNR1B | |
| SCHEMBL5721773 | 0.81 | ESR1 (0.55) | ESR1ESR2MEN1KMT2ATDP1 | |
| SCHEMBL10069067 | 0.81 | ESR1 (0.55) | ESR1ESR2CYP2D6MTNR1AMTNR1B | |
| SCHEMBL1898094 | 0.81 | SLC6A4 (0.55) | CYP19A1MEN1KMT2ATDP1CYP3A4 | |
| SCHEMBL14220528 | 0.79 | CYP19A1 (0.44) | CYP19A1TDP1CYP3A4CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3329919-B1 | ACC INHIBITORS AND USES THEREOF | GILEAD APOLLO LLC (US) | 2019-11-06 | — | — | EP | disclosed |