Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | ATM | Q13315 | 2/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | ALPL | P05186 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17697657 | 0.83 | NPC1 (0.37) | CYP2A6NPC1RAB9AATMSMN1; SMN2 | |
| SCHEMBL15067523 | 0.80 | ALDH1A1 (0.45) | CYP2A6ESR2CYP1A2HPGDCYP3A4 | |
| SCHEMBL6682355 | 0.79 | CYP2A6 (0.40) | CYP2A6NPC1RAB9AHSD11B1CYP1A2 | |
| SCHEMBL9136686 | 0.79 | ACMSD (0.38) | NPC1RAB9AATMSMN1; SMN2HPGD | |
| SCHEMBL7467097 | 0.79 | NPC1 (0.39) | NPC1RAB9AATMESR2SMN1; SMN2 | |
| SCHEMBL1451004 | 0.78 | ALDH1A1 (0.43) | CYP2A6ESR2CYP1A2HPGDCYP3A4 | |
| SCHEMBL8938017 | 0.77 | ALOX5 (0.41) | NPC1RAB9AATMESR2CYP1A2 | |
| SCHEMBL9138237 | 0.76 | HSD11B1 (0.41) | CYP2A6NPC1RAB9AHSD11B1SMN1; SMN2 | |
| SCHEMBL7839044 | 0.76 | PLA2G7 (0.40) | CYP2A6NPC1RAB9AHSD11B1CYP1A2 | |
| SCHEMBL1535844 | 0.76 | ALDH1A1 (0.38) | CYP2A6NPC1RAB9AESR2HPGD |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |