Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.59 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.59 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.54 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.54 |
| ▸ | MIF | P14174 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | PGR | P06401 | 1/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.48 |
| ▸ | AR | P10275 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | DRD1 | P21728 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL11426669 | 0.80 | IDO1 (0.41) | ESR1ESR2CYP2C9LMNACYP2D6 | |
| SCHEMBL6341136 | 0.80 | ESR1 (0.64) | ESR1ESR2PDCD1CD274MIF | |
| SCHEMBL12195409 | 0.78 | ESR1 (0.61) | ESR1ESR2PDCD1CD274MIF | |
| SCHEMBL20765447 | 0.78 | ESR1 (0.62) | ESR1ESR2PDCD1CD274MIF | |
| SCHEMBL16065316 | 0.78 | ESR1 (0.62) | ESR1ESR2PDCD1CD274MIF | |
| SCHEMBL19245695 | 0.78 | ESR1 (0.62) | ESR1ESR2PDCD1CD274MIF | |
| SCHEMBL9180201 | 0.78 | ACHE (0.48) | ESR1ESR2TDP1CYP2C19TAAR1 | |
| SCHEMBL548248 | 0.78 | ESR1 (0.61) | ESR1ESR2PDCD1CD274MIF | |
| SCHEMBL85692 | 0.78 | ESR1 (0.62) | ESR1ESR2PDCD1CD274MIF | |
| SCHEMBL11239990 | 0.76 | ESR1 (0.59) | ESR1ESR2PDCD1CD274MIF |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4001421-A | THIAZOLE CARDIOVASCULAR AGENTS | SYNTEX (U.S.A.) INC. (US) | 1977-01-04 | — | — | US | claimed |
| EP-1066307-A1 | 3',3'-N-BIS-SUBSTITUTED MACROLIDE LHRH ANTAGONISTS | ABBOTT LABORATORIES (US) | 2001-01-10 | — | — | EP | disclosed |
| WO-1999050276-A1 | 3',3'-N-BIS-SUBSTITUTED MACROLIDE LHRH ANTAGONISTS | ABBOTT LABORATORIES (US) | 1999-10-07 | — | — | WO | disclosed |
| US-4001421-A | THIAZOLE CARDIOVASCULAR AGENTS | SYNTEX (U.S.A.) INC. (US) | 1977-01-04 | — | — | US | disclosed |