Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | CACNA1C | Q13936 | 4/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.51 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | CASP1 | P29466 | 1/20 | 0.51 |
| ▸ | CASP7 | P55210 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.47 |
| ▸ | TBXA2R | P21731 | 3/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL10747172 | 0.89 | ALDH1A1 (0.55) | ALDH1A1CACNA1CHSD17B10NR3C2MAPT | |
| SCHEMBL10894470 | 0.89 | CACNA1C (0.62) | ALDH1A1CACNA1CHSD17B10NR3C2MAPT | |
| SCHEMBL8518663 | 0.88 | ABCB11 (0.61) | ALDH1A1CACNA1CHSD17B10MAPTHPGD | |
| SCHEMBL10782866 | 0.85 | ALDH1A1 (0.46) | ALDH1A1CACNA1CHSD17B10NR3C2MAPT | |
| SCHEMBL10892959 | 0.85 | CACNA1C (0.53) | ALDH1A1CACNA1CHSD17B10NR3C2MAPT | |
| SCHEMBL10897319 | 0.85 | HTR1A (0.49) | ALDH1A1CACNA1CHSD17B10NR3C2MAPT | |
| SCHEMBL8297431 | 0.84 | ALDH1A1 (0.58) | ALDH1A1CACNA1CHSD17B10NR3C2MAPT | |
| SCHEMBL10895683 | 0.84 | MAPT (0.59) | ALDH1A1CACNA1CHSD17B10NR3C2MAPT | |
| SCHEMBL8298008 | 0.83 | TBXA2R (0.47) | ALDH1A1CACNA1CHSD17B10MAPTHPGD | |
| SCHEMBL15026460 | 0.82 | ALDH1A1 (0.52) | ALDH1A1CACNA1CHSD17B10MAPTHPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005016885-A2 | COMPOUNDS WITH COMBINED CALCIUM CHANNEL BLOCKER AND β-ADRENERGIC ANTAGONIST OR PARTIAL AGONIST ACTIVITIES FOR TREATMENT OF HEART DISEASE | ARTESIAN THERAPEUTICS, INC. (US) | 2005-02-24 | — | — | WO | disclosed |
| US-4568681-A | Antihypertensive tetrahydropyridine 3,5 dicarboxylic acid esters | BAYER AKTIENGESELLSCHAFT (DE) | 1986-02-04 | — | — | US | disclosed |
| US-4559350-A | Antihypertensive tetrahydropyridine 3-cyano 5-carboxylic acid esters | BAYER AKTIENGESELLSCHAFT (DE) | 1985-12-17 | — | — | US | disclosed |