Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | FABP3 | P05413 | 4/20 | 0.37 |
| ▸ | FABP4 | P15090 | 4/20 | 0.37 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.35 |
| ▸ | HNF4A | P41235 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4270859 | 0.88 | CYP2A6 (0.65) | CYP2A6PTGS1PTGS2FABP3FABP4 | |
| SCHEMBL29077344 | 0.86 | HNF4A (0.39) | CYP2A6ENPP1HNF4AALDH1A1HPGD | |
| SCHEMBL18985258 | 0.82 | ALDH1A1 (0.38) | CYP2A6PTGS2HNF4AALDH1A1RAB9A | |
| SCHEMBL533314 | 0.82 | CYP2A6 (0.38) | CYP2A6FABP3FABP4FABP5ALDH1A1 | |
| SCHEMBL7458985 | 0.80 | CYP2A6 (0.48) | CYP2A6MAPK14ENPP1HNF4AALDH1A1 | |
| SCHEMBL533595 | 0.80 | CNR2 (0.46) | CYP2A6CYP2D6 | |
| SCHEMBL533206 | 0.80 | CYP2A6 (0.65) | CYP2A6HSD11B1ALDH1A1RAB9AHPGD | |
| SCHEMBL24972613 | 0.78 | CYP2A6 (0.52) | CYP2A6PTGS1PTGS2FABP3FABP4 | |
| SCHEMBL27932445 | 0.78 | ALDH1A1 (0.52) | CYP2A6FABP4ENPP1HNF4AALDH1A1 | |
| SCHEMBL1371612 | 0.77 | ALDH1A1 (0.46) | CYP2A6PTGS2ALDH1A1HPGDHSD17B10 |
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 |