Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | KCNA5 | P22460 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | SCN1A | P35498 | 1/20 | 0.43 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.43 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 3/20 | 0.38 |
| ▸ | BLM | P54132 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7759530 | 0.72 | ALDH1A1 (0.64) | ALDH1A1CYP1A2LMNACYP3A4CYP2C19 | |
| SCHEMBL639563 | 0.72 | ALDH1A1 (0.64) | ALDH1A1CYP1A2LMNACYP3A4CYP2C19 | |
| SCHEMBL14060543 | 0.72 | ALDH1A1 (0.69) | ALDH1A1CYP1A2LMNACYP3A4CYP2C19 | |
| SCHEMBL1177971 | 0.71 | ALDH1A1 (0.68) | ALDH1A1CYP1A2LMNACYP3A4CYP2C19 | |
| Hydrochloric Acid SCHEMBL4200885 | 0.70 | ALDH1A1 (0.62) | ALDH1A1CYP1A2LMNACYP3A4CYP2C19 | |
| Hydrochloric Acid SCHEMBL27529639 | 0.70 | ALDH1A1 (0.62) | ALDH1A1CYP1A2LMNACYP3A4CYP2C19 | |
| SCHEMBL5665187 | 0.69 | ALDH1A1 (0.43) | ALDH1A1CYP1A2KCNA5LMNACYP3A4 | |
| SCHEMBL11257114 | 0.69 | ALDH1A1 (0.68) | ALDH1A1CYP1A2LMNACYP3A4CYP2C19 | |
| SCHEMBL638444 | 0.68 | ALDH1A1 (0.63) | ALDH1A1CYP1A2KCNA5LMNACYP3A4 | |
| SCHEMBL1003732 | 0.68 | ADRA2C (0.49) | ALDH1A1LMNATSHRNPSR1HTT |
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 |
|---|---|---|---|---|---|---|---|
| WO-1982004392-A1 | METHOD OF PREPARING PHARMACEUTICAL COMPOSITIONS CONTAINING ALPHA-/2-/BIS(1-METHYLETHYL)AMINO/ETHYL/ALPHA-PHENYL 2-PYRIDINE ACETAMIDE OR ONE OF ITS SALTS | ROUSSEL UCLAF (FR) | 1982-12-23 | — | — | WO | disclosed |