Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | THPO | P40225 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | PGR | P06401 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | ELANE | P08246 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MDM2 | Q00987 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9305548 | 0.99 | MAPK1 (0.51) | ALDH1A1CYP2D6CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL9434703 | 0.92 | ALDH1A1 (0.55) | ALDH1A1CYP2D6CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL9302631 | 0.91 | ALDH1A1 (0.58) | ALDH1A1CYP2D6CYP2C19CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL9303053 | 0.91 | MAPK1 (0.55) | ALDH1A1CYP2D6CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL9434879 | 0.86 | ALDH1A1 (0.49) | ALDH1A1CYP2D6CYP2C19CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL9304548 | 0.85 | MAPK1 (0.49) | ALDH1A1CYP2D6CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL9211380 | 0.84 | ALDH1A1 (0.70) | ALDH1A1CYP2D6CYP2C19CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL9210703 | 0.83 | MAPK1 (0.69) | ALDH1A1CYP2D6CYP2C19CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL9305520 | 0.82 | MAPK1 (0.71) | ALDH1A1CYP2D6CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL9303463 | 0.81 | ALDH1A1 (0.44) | ALDH1A1CYP2D6CYP2C19CYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1994006793-A1 | 3,3'-DISUBSTITUTED-1,3-DIHYDRO-2H-PYRROLO[2,3-b]HETEROCYCLIC-2-ONE USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS OF MAN | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-03-31 | — | — | WO | disclosed |
| US-5278162-A | Learning enhancement | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-01-11 | — | — | US | disclosed |