Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 3/20 | 0.45 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.44 |
| ▸ | NOS3 | P29474 | 2/20 | 0.41 |
| ▸ | NOS1 | P29475 | 2/20 | 0.41 |
| ▸ | ACACB | O00763 | 1/20 | 0.41 |
| ▸ | PLK1 | P53350 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27498272 | 0.82 | AKR1C3 (0.46) | AKR1C3AKR1C2SLC6A4ACACBPLK1 | |
| SCHEMBL11476063 | 0.79 | PLK1 (0.47) | AKR1C3AKR1C2SLC6A4ACACBPLK1 | |
| SCHEMBL5677024 | 0.78 | EPHX1 (0.55) | AKR1C3AKR1C2SLC6A4NOS3NOS1 | |
| SCHEMBL11844893 | 0.78 | AKR1C3 (0.50) | AKR1C3AKR1C2SLC6A4ACACBPLK1 | |
| SCHEMBL7282243 | 0.78 | ALOX5 (0.48) | ALDH1A1MEN1KMT2A | |
| SCHEMBL5441902 | 0.75 | BRD4 (0.45) | MEN1KMT2ANPC1MAPTTSHR | |
| SCHEMBL7431895 | 0.75 | ESR1 (0.41) | ALDH1A1MEN1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL4042450 | 0.75 | ALDH1A1 (0.43) | AKR1C3AKR1C2SLC6A4ACACBALDH1A1 | |
| SCHEMBL11754411 | 0.75 | AKR1C3 (0.46) | AKR1C3AKR1C2PLK1ALDH1A1MEN1 | |
| SCHEMBL7288309 | 0.75 | MAOA (0.48) | PLK1ALDH1A1MAOAMAPTHTT |
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 |