Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
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 | 0.87 | CYP11B1 (0.42) | MAPTKDM4EHPGDGAACYP11B1 | |
| SCHEMBL357701 | 0.86 | CYP11B1 (0.40) | MAPTKDM4EHPGDGAACYP11B1 | |
| SCHEMBL7466430 | 0.85 | CYP1A1 (0.44) | ESR2MAPTKDM4EHPGDGAA | |
| SCHEMBL7472137 | 0.84 | ESR2 (0.39) | ESR2KDM4ECYP11B1CYP11B2EGFR | |
| SCHEMBL3904470 | 0.83 | MCL1 (0.41) | MCL1BACE1 | |
| SCHEMBL7458294 | 0.81 | AKR1C3 (0.40) | CYP11B1CYP11B2S1PR1 | |
| SCHEMBL7467261 | 0.81 | CYP1A1 (0.41) | MAPTKDM4EHPGDEGFRALDH1A1 | |
| SCHEMBL7467199 | 0.79 | PTGS1 (0.38) | MAPTHPGDEGFRPDE3BPDE3A | |
| SCHEMBL14953648 | 0.78 | BACE1 (0.43) | ESR2KDM4ECYP11B1CYP11B2ALDH1A1 | |
| SCHEMBL11466692 | 0.77 | MCL1 (0.37) | HPGDALDH1A1MCL1KMT2ANPC1 |
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 |