Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.57 |
| ▸ | HPD | P32754 | 2/20 | 0.45 |
| ▸ | MAT2A | P31153 | 2/20 | 0.39 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | IDO2 | Q6ZQW0 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL9733040 | 0.88 | ALDH1A1 (0.60) | ALDH1A1CYP2D6CYP2C19HPDHCAR1 | |
| SCHEMBL9734019 | 0.87 | ALDH1A1 (0.59) | ALDH1A1CYP2D6CYP2C19HPDHCAR1 | |
| SCHEMBL9733167 | 0.85 | ALDH1A1 (0.57) | ALDH1A1CYP2D6CYP2C19HPDHCAR1 | |
| SCHEMBL9734050 | 0.82 | ALDH1A1 (0.56) | ALDH1A1CYP2D6CYP2C19HPDHCAR1 | |
| SCHEMBL9734004 | 0.81 | ALDH1A1 (0.67) | ALDH1A1CYP2D6CYP2C19HPDHCAR1 | |
| SCHEMBL9733464 | 0.81 | ALDH1A1 (0.48) | ALDH1A1CYP2D6CYP2C19HPDCYP1A2 | |
| Hydrochloric Acid SCHEMBL9733817 | 0.81 | ALDH1A1 (0.57) | ALDH1A1CYP2D6CYP2C19HPDCYP1A2 | |
| SCHEMBL9734201 | 0.79 | ALDH1A1 (0.64) | ALDH1A1CYP2D6CYP2C19HPDHCAR1 | |
| SCHEMBL9733985 | 0.79 | ALDH1A1 (0.43) | ALDH1A1CYP2D6CYP2C19HPDMAT2A | |
| SCHEMBL9733280 | 0.76 | ALDH1A1 (0.41) | ALDH1A1CYP2D6CYP2C19HPDMAT2A |
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 |