Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 2/20 | 0.62 |
| ▸ | MAPT | P10636 | 4/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | MITF | O75030 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.55 |
| ▸ | S100A4 | P26447 | 2/20 | 0.53 |
| ▸ | PTPRC | P08575 | 1/20 | 0.53 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.51 |
| ▸ | CASP6 | P55212 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL27515150 | 0.86 | SOS1 (0.68) | XDHMAPTALDH1A1MITFLMNA | |
| SCHEMBL6275444 | 0.80 | ALDH1A1 (0.58) | XDHMAPTALDH1A1MITFLMNA | |
| SCHEMBL6275440 | 0.80 | ALDH1A1 (0.58) | XDHMAPTALDH1A1MITFLMNA | |
| SCHEMBL3745130 | 0.79 | RPS6KA3 (0.71) | XDHMAPTTDP1CASP6TDP2 | |
| SCHEMBL8324118 | 0.77 | XDH (0.52) | XDHMAPTALDH1A1MITFLMNA | |
| Anthraquinone SCHEMBL28053884 | 0.77 | ALDH1A1 (0.70) | MAPTALDH1A1S100A4PTPRCPTPN1 | |
| SCHEMBL5695446 | 0.75 | MAPT (0.59) | XDHMAPTALDH1A1MITFLMNA | |
| SCHEMBL5695396 | 0.75 | MAPT (0.59) | XDHMAPTALDH1A1MITFLMNA | |
| SCHEMBL30969584 | 0.75 | MAPT (0.59) | XDHMAPTALDH1A1MITFLMNA | |
| SCHEMBL30019907 | 0.74 | XDH (0.78) | XDHMAPTALDH1A1MITFHTT |
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-4326064-A | CORONARODILATING ACTIVITY | VIGANTE BRIGITA A | 1982-04-20 | — | — | US | disclosed |
| US-4252956-A | CORONARY ARTERY DILATORS | VIGANTE BRIGITA A | 1981-02-24 | — | — | US | disclosed |