Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.57 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HPD | P32754 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | JUN | P05412 | 2/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.39 |
| ▸ | RELA | Q04206 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9733308 | 0.91 | ALDH1A1 (0.45) | ALDH1A1LMNAL3MBTL1NPSR1CYP2D6 | |
| SCHEMBL9733819 | 0.89 | L3MBTL1 (0.46) | ALDH1A1LMNAL3MBTL1CYP2D6CYP2C19 | |
| SCHEMBL9733191 | 0.89 | ALDH1A1 (0.44) | ALDH1A1LMNAL3MBTL1NPSR1CYP2D6 | |
| SCHEMBL9734019 | 0.88 | ALDH1A1 (0.59) | ALDH1A1LMNAL3MBTL1CYP2D6CYP2C19 | |
| SCHEMBL9733338 | 0.86 | CA2 (0.47) | ALDH1A1LMNAL3MBTL1NPSR1CYP2D6 | |
| SCHEMBL9734920 | 0.85 | ALDH1A1 (0.57) | ALDH1A1LMNAL3MBTL1CYP2D6CYP2C19 | |
| SCHEMBL9734089 | 0.85 | GRM5 (0.50) | ALDH1A1LMNACYP2D6CYP2C19RAB9A | |
| SCHEMBL9733959 | 0.85 | ALDH1A1 (0.56) | ALDH1A1LMNAL3MBTL1NPSR1CYP2D6 | |
| SCHEMBL9733344 | 0.81 | ALDH1A1 (0.44) | ALDH1A1CYP2D6CYP2C19HPDRAB9A | |
| SCHEMBL9732944 | 0.81 | ALDH1A1 (0.44) | ALDH1A1L3MBTL1CYP2D6CYP2C19HPD |
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 |