Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | CASP3 | P42574 | 2/20 | 0.39 |
| ▸ | AAK1 | Q2M2I8 | 6/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6462042 | 0.86 | ACACB (0.35) | AAK1ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL3910420 | 0.85 | CHRNB2 (0.38) | KDM4EAAK1MAPTKMT2ALMNA | |
| SCHEMBL5224591 | 0.77 | CDK8 (0.39) | AAK1 | |
| SCHEMBL5197286 | 0.75 | CA1 (0.35) | AAK1MAPTLMNA | |
| SCHEMBL6451903 | 0.75 | NNMT (0.41) | KDM4EAAK1MAPTMEN1KMT2A | |
| SCHEMBL6853669 | 0.74 | AAK1 (0.43) | CYP1A2CYP3A4CYP2C19AAK1 | |
| SCHEMBL6853676 | 0.74 | AAK1 (0.43) | CYP1A2CYP3A4CYP2C19AAK1 | |
| SCHEMBL6453865 | 0.73 | KDM4E (0.44) | CYP1A2CYP3A4CYP2C19KDM4ECASP3 | |
| SCHEMBL31226247 | 0.72 | KMT2A (0.44) | CYP1A2CYP3A4CYP2C19AAK1ALDH1A1 | |
| SCHEMBL31226229 | 0.72 | CYP1A2 (0.41) | CYP1A2CYP3A4CYP2C19KDM4ECASP3 |
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-1814852-A2 | HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS | Targacept, Inc. (US) | 2007-08-08 | — | — | EP | disclosed |
| EP-1814853-A2 | HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS | Targacept, Inc. (US) | 2007-08-08 | — | — | EP | disclosed |
| WO-2006053082-A2 | HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS | TARGACEPT, INC. (US) | 2006-05-18 | — | — | WO | disclosed |
| WO-2006053039-A2 | HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS | TARGACEPT, INC. (US) | 2006-05-18 | — | — | WO | disclosed |