Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.42 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | DHFR | P00374 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL5072690 | 0.85 | NCOA1 (0.41) | ALDH1A1TSHRNCOA1NCOA3SMN1; SMN2 | |
| SCHEMBL6049524 | 0.78 | NCOA1 (0.50) | ALDH1A1NCOA1NCOA3SMN1; SMN2DHFR | |
| SCHEMBL5070133 | 0.78 | SCN2A (0.46) | ALDH1A1SMN1; SMN2MEN1KMT2ATDP1 | |
| SCHEMBL6049571 | 0.77 | ALDH1A1 (0.46) | ALDH1A1NCOA1NCOA3SMN1; SMN2KMT2A | |
| SCHEMBL6049511 | 0.77 | NCOA1 (0.46) | ALDH1A1TSHRNCOA1NCOA3SMN1; SMN2 | |
| SCHEMBL7377151 | 0.74 | SCN2A (0.47) | ALDH1A1TSHRNCOA1NCOA3SMN1; SMN2 | |
| SCHEMBL6049617 | 0.74 | NCOA1 (0.45) | NCOA1NCOA3SMN1; SMN2TDP1DHFR | |
| SCHEMBL6049509 | 0.74 | HTR2B (0.56) | ALDH1A1SMN1; SMN2MEN1KMT2ATDP1 | |
| SCHEMBL6049513 | 0.74 | HSP90AA1 (0.56) | ALDH1A1SMN1; SMN2MEN1KMT2ATDP1 | |
| SCHEMBL9485648 | 0.72 | NCOA1 (0.72) | ALDH1A1NCOA1NCOA3SMN1; SMN2MAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0679645-A1 | Pharmacologically active CNS pyridmidin compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-11-02 | — | — | EP | claimed |
| EP-0459819-A2 | Pharmacologically active CNS compound | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-12-04 | — | — | EP | claimed |
| EP-0679645-A1 | Pharmacologically active CNS pyridmidin compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-11-02 | — | — | EP | disclosed |
| EP-0459819-A2 | Pharmacologically active CNS compound | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-12-04 | — | — | EP | disclosed |