Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | RARB | P10826 | 1/20 | 0.46 |
| ▸ | PLK1 | P53350 | 1/20 | 0.46 |
| ▸ | THRA | P10827 | 2/20 | 0.45 |
| ▸ | THRB | P10828 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.43 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | F13A1 | P00488 | 1/20 | 0.43 |
| ▸ | TGM2 | P21980 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6066130 | 0.85 | ALDH1A1 (0.56) | ALDH1A1HPGDHSD17B10RARBPLK1 | |
| SCHEMBL6803238 | 0.78 | ALDH1A1 (0.47) | ALDH1A1HPGDHSD17B10RARBPLK1 | |
| SCHEMBL22571095 | 0.77 | ALDH1A1 (0.53) | ALDH1A1HPGDHSD17B10RARBPLK1 | |
| SCHEMBL7288309 | 0.76 | MAOA (0.48) | ALDH1A1HPGDPLK1THRATHRB | |
| SCHEMBL8089660 | 0.76 | ALDH1A1 (0.52) | ALDH1A1HPGDHSD17B10RARBPLK1 | |
| SCHEMBL7282846 | 0.76 | EPHX1 (0.69) | RARBHTR2AAKR1C2 | |
| SCHEMBL9379104 | 0.75 | ALDH1A1 (0.51) | ALDH1A1HSD17B10RARBTHRATHRB | |
| SCHEMBL11876242 | 0.75 | PSEN1 (0.39) | ALDH1A1HPGDTHRB | |
| SCHEMBL7282009 | 0.74 | MMP9 (0.33) | HPGDCA2CA1 | |
| SCHEMBL4055722 | 0.74 | CA2 (0.55) | ALDH1A1HPGDHSD17B10RARBPLK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4567264-A | ADRENERGIC BLOCKING AGENTS | SYNTEX (U.S.A.) INC. (US) | 1986-01-28 | — | — | US | disclosed |
| US-4558129-A | Benzodioxanyl-hydroxyethylene-piperazinyl acetanilides which effect calcium entry and β-blockade | SYNTEX (U.S.A.) INC. (US) | 1985-12-10 | — | — | US | disclosed |
| US-4499100-A | CARDIOUVASCULAR DISORDERS | SYNTEX (U.S.A.) INC. (US) | 1985-02-12 | — | — | US | disclosed |
| EP-0126449-A1 | Cardioselective aryloxy- and arylthio-hydroxypropyl piperazinyl acetanilides wich affect calcium entry | SYNTEX (U.S.A.) INC. (US) | 1984-11-28 | — | — | EP | disclosed |