Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | SQSTM1 | Q13501 | 1/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7144108 | 0.88 | HSD17B10 (0.51) | HSD17B10KDM4ENPC1RAB9APTGS1 | |
| SCHEMBL30468420 | 0.86 | HSD17B10 (0.68) | HSD17B10KDM4ELMNACYP1A2MAPT | |
| SCHEMBL7322443 | 0.86 | HSD17B10 (0.68) | HSD17B10KDM4ELMNACYP1A2MAPT | |
| SCHEMBL7307333 | 0.85 | HSD17B10 (0.49) | HSD17B10KDM4ENPC1RAB9APTGS1 | |
| SCHEMBL7313971 | 0.83 | LMNA (0.56) | HSD17B10CYP3A4KDM4ENPC1LMNA | |
| SCHEMBL10962956 | 0.83 | AKR1C3 (0.52) | HSD17B10PTGS1AKR1C3AKR1C2MTNR1A | |
| SCHEMBL10411874 | 0.82 | ALDH1A1 (0.47) | HSD17B10PTGS1AKR1C3AKR1C2ALDH1A1 | |
| SCHEMBL21232836 | 0.81 | PPARG (0.46) | HSD17B10CYP3A4KDM4ENPC1LMNA | |
| SCHEMBL8772666 | 0.81 | MTNR1A (0.57) | HSD17B10CYP3A4KDM4ENPC1LMNA | |
| SCHEMBL5743959 | 0.81 | HSD17B10 (0.75) | HSD17B10CYP3A4MAPTMTNR1AMTNR1B |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0250254-B1 | CIS & TRANS STILBENES AND THEIR COMPOSITION FOR THE TREATMENT OF HYPERTENSION | McNeilab, Inc. (US) | 1991-06-19 | — | — | EP | disclosed |
| US-4798893-A | Process for producing 1-(5-substituted-2-ethynylphenyl)-2-propanones | MCNEILAB, INC. (US) | 1989-01-17 | — | — | US | disclosed |
| US-4742084-A | Aralykyl (arylethynyl)aralkyl amines and their use as vasodilators and antihypertensives | MCNEILAB, INC. (US) | 1988-05-03 | — | — | US | disclosed |
| EP-0155079-B1 | ACETYLENE AMINES AND THEIR USE AS VASODILATORS AND ANTIHYPERTENSIVES | McNeilab, Inc. (US) | 1988-02-17 | — | — | EP | disclosed |
| US-4725602-A | Acetylene amines and their use as vasodilators and antihypertensives | MCNEILAB, INC. (US) | 1988-02-16 | — | — | US | disclosed |
| EP-0250254-A1 | Cis & trans stilbenes and their composition for the treatment of hypertension | McNeilab, Inc. (US) | 1987-12-23 | — | — | EP | disclosed |
| US-4661635-A | ANTIARRHYTHMIA AGENTS | MCNEILAB, INC. (US) | 1987-04-28 | — | — | US | disclosed |
| EP-0155079-A1 | Acetylene amines and their use as vasodilators and antihypertensives | McNeilab, Inc. (US) | 1985-09-18 | — | — | EP | disclosed |
| EP-0146271-A2 | Aralykyl (arylethynyl) aralkyl amines for use as vasodilators and antihypertensives | McNeilab, Inc. (US) | 1985-06-26 | — | — | EP | disclosed |