Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | ACLY | P53396 | 8/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7468946 | 0.86 | CYP11B1 (0.42) | KDM4EALDH1A1L3MBTL1CYP11B1CYP11B2 | |
| SCHEMBL357701 | 0.84 | CYP11B1 (0.40) | KDM4EALDH1A1L3MBTL1CYP11B1CYP11B2 | |
| SCHEMBL7466430 | 0.84 | CYP1A1 (0.44) | ESR2CHEK1KDM4EALDH1A1L3MBTL1 | |
| SCHEMBL7471853 | 0.84 | ESR2 (0.39) | ESR2CHEK1KDM4EALDH1A1L3MBTL1 | |
| SCHEMBL9453856 | 0.83 | ERN1 (0.43) | KDM4EALDH1A1L3MBTL1PTGS2PTGS1 | |
| SCHEMBL27769458 | 0.82 | AHR (0.44) | L3MBTL1PTGS2 | |
| SCHEMBL7458294 | 0.80 | AKR1C3 (0.40) | CYP11B1CYP11B2 | |
| SCHEMBL7467261 | 0.79 | CYP1A1 (0.41) | CHEK1KDM4EALDH1A1L3MBTL1EGFR | |
| SCHEMBL17514797 | 0.79 | HSD11B1 (0.35) | — | |
| SCHEMBL7467199 | 0.78 | PTGS1 (0.38) | PTGS2EGFRPTGS1 |
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 | claimed |
| WO-2001047875-A1 | SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-07-05 | — | — | WO | claimed |