Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | TP53 | P04637 | 3/20 | 0.39 |
| ▸ | ELANE | P08246 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.35 |
| ▸ | GPX4 | P36969 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Ethyl Chloride SCHEMBL7431653 | 0.92 | ALDH1A1 (0.38) | ALDH1A1TP53ELANEMAPTNPSR1 | |
| Chloromethane SCHEMBL7279137 | 0.91 | ELANE (0.37) | ALDH1A1TP53ELANENPSR1NPC1 | |
| SCHEMBL10997433 | 0.84 | ALDH1A1 (0.50) | ALDH1A1TP53ELANEMAPTNPSR1 | |
| SCHEMBL7431237 | 0.83 | ALDH1A1 (0.37) | ALDH1A1TP53ELANEMAPTNPSR1 | |
| Methylpiperazine SCHEMBL7291691 | 0.75 | ADRB1 (0.38) | ALDH1A1ELANENPC1RAB9AMAPK1 | |
| SCHEMBL7440849 | 0.75 | ELANE (0.35) | ALDH1A1ELANETSHRNPC1RAB9A | |
| SCHEMBL10837497 | 0.75 | HRH2 (0.40) | ALDH1A1NPC1RAB9A | |
| Ethyl Chloride SCHEMBL10997733 | 0.75 | ALDH1A1 (0.50) | ALDH1A1TP53ELANEMAPTNPSR1 | |
| SCHEMBL10835574 | 0.74 | LMNA (0.39) | ALDH1A1MAPK1KMT2A | |
| SCHEMBL10988376 | 0.73 | ALDH1A1 (0.48) | ALDH1A1TP53MAPTNPSR1TSHR |
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 |