Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 3/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | BLM | P54132 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL10681710 | 0.90 | ALDH1A1 (0.48) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| SCHEMBL11112703 | 0.87 | — | — | |
| SCHEMBL11112696 | 0.87 | MEN1 (0.44) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| SCHEMBL11166121 | 0.85 | ALDH1A1 (0.43) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| SCHEMBL11757871 | 0.84 | DHFR (0.58) | DHFRALDH1A1 | |
| SCHEMBL11345033 | 0.84 | ALDH1A1 (0.43) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| SCHEMBL11821666 | 0.83 | DHFR (0.57) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| SCHEMBL11859958 | 0.83 | DHFR (0.43) | DHFRALDH1A1 | |
| SCHEMBL15271540 | 0.79 | DHFR (0.44) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| SCHEMBL12496384 | 0.78 | HSP90AA1 (0.54) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 |
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-RE29467-E | Benzylcyano-amides | PLANTEX, LTD. (IL) | 1977-11-08 | — | — | US | disclosed |
| US-3980649-A | Process for the manufacture of pyrimidine derivatives | CHEMIE GRUNENTHAL GMBH (DT) | 1976-09-14 | — | — | US | disclosed |