Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.57 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.57 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.57 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.57 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.57 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.57 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.57 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | HBB | P68871 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | EDNRB | P24530 | 1/20 | 0.39 |
| ▸ | EDNRA | P25101 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | GPR3 | P46089 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30001332 | 0.78 | HDAC3 (0.59) | HDAC3HDAC4HDAC7HDAC8HDAC6 | |
| SCHEMBL40500 | 0.78 | HDAC3 (0.59) | HDAC3HDAC4HDAC7HDAC8HDAC6 | |
| Benzene SCHEMBL28538497 | 0.78 | HDAC3 (0.59) | HDAC3HDAC4HDAC7HDAC8HDAC6 | |
| SCHEMBL1567079 | 0.78 | HDAC3 (0.59) | HDAC3HDAC4HDAC7HDAC8HDAC6 | |
| SCHEMBL7043488 | 0.76 | HDAC3 (0.57) | HDAC3HDAC4HDAC7HDAC8HDAC6 | |
| SCHEMBL30250175 | 0.76 | ATM (0.61) | HDAC3HDAC4HDAC7HDAC8HDAC6 | |
| SCHEMBL3143561 | 0.76 | ATM (0.61) | HDAC3HDAC4HDAC7HDAC8HDAC6 | |
| SCHEMBL4796539 | 0.76 | HDAC3 (0.57) | HDAC3HDAC4HDAC7HDAC8HDAC6 | |
| SCHEMBL15125189 | 0.76 | HDAC3 (0.57) | HDAC3HDAC4HDAC7HDAC8HDAC6 | |
| Hydrochloric Acid SCHEMBL7052205 | 0.76 | HDAC3 (0.57) | HDAC3HDAC4HDAC7HDAC8HDAC6 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0542392-B1 | Use of thiol-S-(2-diethyl-aminoethyl)-ester compound for the preparation of a medicament for the treating neuro-muscular incontinence | UNITED PHARMACEUTICALS INC (US) | 1996-11-13 | — | — | EP | disclosed |
| EP-0542392-A1 | Use of thiol-S-(2-diethyl-aminoethyl)-ester compound for the preparation of a medicament for the treating neuro-muscular incontinence | United Pharmaceuticals, Inc. (US) | 1993-05-19 | — | — | EP | disclosed |
| US-5130336-A | Administering a thiol-dimethylaminoethyl ester compound | UNITED PHARMACEUTICALS, INC. (US) | 1992-07-14 | — | — | US | disclosed |
| US-RE33907-E | Anti-spasmodic agents having a heterocyclic ring | UNITED PHARMACEUTICALS, INC. (US) | 1992-04-28 | — | — | US | disclosed |
| US-4957941-A | Anti-spasmdoic agents having an acetylenic bond | UNITED PHARMACEUTICALS, INC. (US) | 1990-09-18 | — | — | US | disclosed |
| US-4918082-A | Anti-spasmodic agents containing quaternary nitrogen | UNITED PHARMACEUTICALS, INC. (US) | 1990-04-17 | — | — | US | disclosed |
| US-4857535-A | THIOESTERS | UNITED PHARMACEUTICALS (US) | 1989-08-15 | — | — | US | disclosed |
| US-4766119-A | SMOOTH MUSCLE RELAXANTS | UNITED PHARMACEUTICALS, INC. (US) | 1988-08-23 | — | — | US | disclosed |
| EP-0267319-A1 | Anti-spasmodic agents having a ring in the main chain | United Pharmaceuticals, Inc. (US) | 1988-05-18 | — | — | EP | disclosed |
| US-4725593-A | Method of treating smooth muscle spasm | UNITED PHARMACEUTICALS, INC. (US) | 1988-02-16 | — | — | US | disclosed |
| US-4721783-A | SMOOTH MUSCLES | UNITED PHARMACEUTICALS, INC. (US) | 1988-01-26 | — | — | US | disclosed |
| US-4721722-A | Anti-spasmodic agents containing quaternary nitrogen | UNITED PHARMACEUTICALS, INC. (US) | 1988-01-26 | — | — | US | disclosed |
| US-4678780-A | SMOOTH MUSCLE RELAXANTS | UNITED PHARMACEUTICALS, INC. (US) | 1987-07-07 | — | — | US | disclosed |
| US-4652649-A | BENZOYL-THIO-S-AMINOALKYLS | UNITED PHARMACEUTICALS, INC. (US) | 1987-03-24 | — | — | US | disclosed |
| US-4647562-A | Anti-spasmodic agents having three branch chains | UNITED PHARMACEUTICALS, INC. (US) | 1987-03-03 | — | — | US | disclosed |