Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10468342 | 0.92 | ESR1 (0.45) | ALDH1A1TDP1L3MBTL1CYP1A2CYP2C19 | |
| SCHEMBL10467363 | 0.91 | ALDH1A1 (0.47) | ALDH1A1KDM4ETDP1LMNAHPGD | |
| SCHEMBL10468172 | 0.91 | ALDH1A1 (0.43) | ALDH1A1KDM4ETDP1LMNAL3MBTL1 | |
| SCHEMBL10466522 | 0.88 | ALDH1A1 (0.45) | ALDH1A1KDM4ETDP1LMNAHPGD | |
| SCHEMBL10469441 | 0.88 | CHRNA7 (0.40) | ALDH1A1KDM4ETDP1LMNAHPGD | |
| SCHEMBL10468052 | 0.87 | ALDH1A1 (0.40) | ALDH1A1KDM4ETDP1LMNAHPGD | |
| SCHEMBL10469374 | 0.86 | ALDH1A1 (0.41) | ALDH1A1KDM4ETDP1LMNAHPGD | |
| SCHEMBL10467484 | 0.86 | ALDH1A1 (0.41) | ALDH1A1KDM4ETDP1LMNAHPGD | |
| SCHEMBL10466950 | 0.85 | ALDH1A1 (0.38) | ALDH1A1KDM4ETDP1LMNAHPGD | |
| SCHEMBL10466968 | 0.83 | ESR1 (0.46) | ALDH1A1TDP1L3MBTL1ESR1TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4916229-A | Pyridine carboxylic acid derivates | WARNER-LAMBERT COMPANY (US) | 1990-04-10 | — | — | US | disclosed |