Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1C | Q13936 | 6/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10672844 | 0.83 | DHFR (0.39) | CACNA1CSMN1; SMN2ALDH1A1CYP2C9KDM4E | |
| SCHEMBL10668674 | 0.82 | DHFR (0.43) | CACNA1CSMN1; SMN2ALDH1A1CYP2C9KDM4E | |
| SCHEMBL9475274 | 0.81 | CYP2C9 (0.46) | CACNA1CALDH1A1CYP2C9KDM4ETSHR | |
| SCHEMBL9476520 | 0.79 | DHFR (0.42) | ALDH1A1CYP2C9KDM4ETSHRMEN1 | |
| SCHEMBL6336691 | 0.78 | SMN1; SMN2 (0.55) | CACNA1CSMN1; SMN2ALDH1A1KDM4ETSHR | |
| SCHEMBL10673739 | 0.77 | CACNA1C (0.76) | CACNA1CSMN1; SMN2ALDH1A1CYP2C9KDM4E | |
| SCHEMBL6338671 | 0.77 | SMN1; SMN2 (0.50) | CACNA1CSMN1; SMN2ALDH1A1KDM4ETSHR | |
| SCHEMBL10668488 | 0.77 | SIGMAR1 (0.43) | CACNA1CALDH1A1KDM4ETSHRADORA3 | |
| SCHEMBL10673651 | 0.76 | CACNA1C (0.64) | CACNA1CSMN1; SMN2ALDH1A1CYP2C9KDM4E | |
| SCHEMBL7273814 | 0.75 | TSHR (0.51) | CACNA1CALDH1A1CYP2C9KDM4ETSHR |
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-4728652-A | VASODILATORS | E. R. SQUIBB & SONS, INC. (US) | 1988-03-01 | — | — | US | disclosed |
| EP-0202654-A2 | 5-Carboxy-1,4-dihydropyrimidine derivatives | E.R. Squibb & Sons, Inc. (US) | 1986-11-26 | — | — | EP | disclosed |