Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.52 |
| ▸ | CA2 | P00918 | 3/20 | 0.52 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.52 |
| ▸ | PARP1 | P09874 | 1/20 | 0.52 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.52 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.52 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.45 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.45 |
| ▸ | CDC42 | P60953 | 1/20 | 0.45 |
| ▸ | RAC1 | P63000 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11783271 | 0.84 | ALOX5 (0.58) | ALOX5TSHRTDP1L3MBTL1PTGS2 | |
| SCHEMBL474032 | 0.82 | AKR1C3 (0.54) | CA1CA2TSHRALDH1A1MAPK1 | |
| SCHEMBL4422760 | 0.82 | TSHR (0.47) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL4593652 | 0.82 | CA1 (0.57) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL7281869 | 0.81 | ALDH1A1 (0.42) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL4507705 | 0.80 | CA1 (0.55) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL9451975 | 0.79 | CES2 (0.53) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL4643994 | 0.79 | TSHR (0.44) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL7281618 | 0.79 | L3MBTL1 (0.59) | PARP1ALDH1A1L3MBTL1CES2CES1 | |
| SCHEMBL15517793 | 0.78 | CA1 (0.53) | CA1CA2PARP10PARP1PARP2 |
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 |