Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.33 |
| ▸ | AKT2 | P31751 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | CTRC | Q99895 | 2/20 | 0.32 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.32 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6207069 | 0.79 | CYP2A6 (0.43) | CYP2A6LMNACYP1A2ESR2CTRC | |
| SCHEMBL11269403 | 0.79 | PDCD1 (0.42) | CYP2A6CYP2B6LMNAAKT1AKT2 | |
| SCHEMBL4289108 | 0.79 | HSD17B1 (0.41) | CYP2B6CYP1A2ESR2CYP2C9CYP2C19 | |
| SCHEMBL7455214 | 0.78 | POLB (0.41) | CYP2A6LMNAHSD11B1ALDH1A1RAB9A | |
| SCHEMBL6829533 | 0.78 | CYP2A6 (0.36) | CYP2A6CYP2B6LMNAAKT1AKT2 | |
| SCHEMBL27475804 | 0.78 | CYP2A6 (0.41) | CYP2A6LMNACYP1A2ESR2CTRC | |
| SCHEMBL5787045 | 0.77 | ENPP1 (0.39) | ESR2BACE1MAPT | |
| SCHEMBL7821465 | 0.76 | CYP2A6 (0.40) | CYP2A6CYP1A2CTRCBACE1ALDH1A1 | |
| SCHEMBL7461959 | 0.76 | CYP2A6 (0.35) | CYP2A6CYP2B6AKT1AKT2ESR2 | |
| SCHEMBL8210178 | 0.76 | HDAC4 (0.44) | CYP2A6CYP2B6AKT1AKT2ESR2 |
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 |