Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.38 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | GABRP | O00591 | 1/20 | 0.36 |
| ▸ | GABRD | O14764 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1205892 | 0.85 | TAAR1 (0.44) | TAAR1ESR2CYP17A1CYP3A4CYP11B1 | |
| SCHEMBL7455536 | 0.84 | FLT3 (0.39) | TAAR1ESR2MEN1KMT2AMGLL | |
| SCHEMBL1451004 | 0.82 | ALDH1A1 (0.43) | TAAR1ESR2CYP3A4KDM4EMEN1 | |
| SCHEMBL8938017 | 0.81 | ALOX5 (0.41) | TAAR1ESR2CYP3A4KDM4EMEN1 | |
| SCHEMBL1535844 | 0.80 | ALDH1A1 (0.38) | ESR2KDM4EMEN1MAPTKMT2A | |
| SCHEMBL15067523 | 0.80 | ALDH1A1 (0.45) | TAAR1ESR2CYP3A4KDM4EMEN1 | |
| Biphenyl SCHEMBL25183774 | 0.80 | TAAR1 (0.67) | TAAR1ESR2CYP17A1CYP3A4CYP11B1 | |
| SCHEMBL29451178 | 0.80 | TAAR1 (0.67) | TAAR1ESR2CYP17A1CYP3A4CYP11B1 | |
| SCHEMBL16719443 | 0.80 | PGR (0.40) | TAAR1ESR2NR4A1NR4A2NR4A3 | |
| SCHEMBL200605 | 0.80 | TAAR1 (0.67) | TAAR1ESR2CYP17A1CYP3A4CYP11B1 |
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-1244617-A1 | SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE | Ortho-McNeil Pharmaceutical, Inc. (US) | 2002-10-02 | — | — | EP | disclosed |
| WO-2001047875-A1 | SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-07-05 | — | — | WO | disclosed |