Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | HPD | P32754 | 2/20 | 0.42 |
| ▸ | HTR2A | P28223 | 10/20 | 0.38 |
| ▸ | HTR2C | P28335 | 8/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | DRD2 | P14416 | 4/20 | 0.34 |
| ▸ | HTR7 | P34969 | 3/20 | 0.34 |
| ▸ | HTR6 | P50406 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
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 SCHEMBL9733337 | 0.84 | HIF1A (0.38) | ALDH1A1HTR2AHTR2CSLC6A4DRD2 | |
| SCHEMBL9733212 | 0.81 | ALDH1A1 (0.57) | ALDH1A1CYP2D6CYP2C19HPDCYP1A2 | |
| SCHEMBL9733040 | 0.78 | ALDH1A1 (0.60) | ALDH1A1CYP2D6CYP2C19HPDCYP1A2 | |
| SCHEMBL9734019 | 0.77 | ALDH1A1 (0.59) | ALDH1A1CYP2D6CYP2C19HPDCYP1A2 | |
| SCHEMBL9733985 | 0.76 | ALDH1A1 (0.43) | ALDH1A1CYP2D6CYP2C19HPDCYP1A2 | |
| SCHEMBL9733167 | 0.76 | ALDH1A1 (0.57) | ALDH1A1CYP2D6CYP2C19HPDCYP1A2 | |
| SCHEMBL9734050 | 0.73 | ALDH1A1 (0.56) | ALDH1A1CYP2D6CYP2C19HPDCYP1A2 | |
| SCHEMBL9734004 | 0.72 | ALDH1A1 (0.67) | ALDH1A1CYP2D6CYP2C19HPDCYP1A2 | |
| Hydrochloric Acid SCHEMBL9733817 | 0.72 | ALDH1A1 (0.57) | ALDH1A1CYP2D6CYP2C19HPDCYP1A2 | |
| SCHEMBL9733280 | 0.71 | ALDH1A1 (0.41) | ALDH1A1CYP2D6CYP2C19HPDCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5124331-A | Anticancer agents | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1992-06-23 | — | — | US | disclosed |
| EP-0364598-A1 | 3,4-dihydrothieno ¬2,3-d pyrimidine compounds and pharmaceutical application thereof | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1990-04-25 | — | — | EP | disclosed |