Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.64 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.57 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.57 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.57 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.57 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.57 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.57 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.57 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.57 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.57 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.57 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.57 |
| ▸ | TNKS | O95271 | 1/20 | 0.57 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.57 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.57 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
| ▸ | PARP1 | P09874 | 3/20 | 0.54 |
| ▸ | PARP15 | Q460N3 | 2/20 | 0.54 |
| ▸ | PARP14 | Q460N5 | 2/20 | 0.54 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL6170653 | 1.00 | NPSR1 (0.64) | NPSR1HDAC3HDAC1HDAC4HDAC7 | |
| SCHEMBL6168342 | 0.86 | CYP1B1 (0.68) | HDAC3HDAC1HDAC4HDAC7HDAC2 | |
| SCHEMBL6168348 | 0.86 | CYP1B1 (0.68) | HDAC3HDAC1HDAC4HDAC7HDAC2 | |
| Cinnamic Acid SCHEMBL28207108 | 0.85 | HCAR2 (0.73) | NPSR1HDAC3HDAC1HDAC4HDAC7 | |
| Cinnamic Acid SCHEMBL28207107 | 0.85 | HCAR2 (0.73) | NPSR1HDAC3HDAC1HDAC4HDAC7 | |
| SCHEMBL69237 | 0.85 | P4HB (0.66) | NPSR1HDAC3HDAC1HDAC4HDAC7 | |
| SCHEMBL69236 | 0.85 | P4HB (0.66) | NPSR1HDAC3HDAC1HDAC4HDAC7 | |
| SCHEMBL28179497 | 0.85 | TTR (0.59) | HDAC3HDAC1HDAC4HDAC7HDAC2 | |
| SCHEMBL6170786 | 0.84 | GLA (0.56) | NPSR1HDAC3HDAC1PARP1PARP14 | |
| SCHEMBL6170785 | 0.84 | GLA (0.56) | NPSR1HDAC3HDAC1PARP1PARP14 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1192127-B1 | SUBSTITUTED BENZAMIDE INHIBITORS OF RHINOVIRUS 3C PROTEASE | AGOURON PHARMA (US) | 2005-03-30 | — | — | EP | disclosed |
| US-6369226-B1 | ENZYME INHIBITORS | AGOURON PHARMACEUTICALS, INC. | 2002-04-09 | — | — | US | disclosed |
| EP-1192127-A1 | SUBSTITUTED BENZAMIDE INHIBITORS OF RHINOVIRUS 3C PROTEASE | Agouron Pharmaceuticals, Inc. (US) | 2002-04-03 | — | — | EP | disclosed |
| WO-2000078708-A1 | SUBSTITUTED BENZAMIDE INHIBITORS OF RHINOVIRUS 3C PROTEASE | AGOURON PHARMACEUTICALS, INC. (US) | 2000-12-28 | — | — | WO | disclosed |
| EP-0201823-B1 | NOVEL INTERMEDIATES FOR THE PRODUCTION OF PHARMACEUTICALS | LILLY INDUSTRIES LIMITED (GB) | 1990-12-05 | — | — | EP | disclosed |
| US-4963578-A | LEUKOTRIN ANTAGONISTS; ANTIALLERGENS | LILLY INDUSTRIES LIMITED (GB) | 1990-10-16 | — | — | US | disclosed |
| US-RE33300-E | LEUKOTRIENE ANTAGONISTS; ANTIALLERGENS | ELI LILLY AND COMPANY (US) | 1990-08-14 | — | — | US | disclosed |
| EP-0134111-B1 | ARALIPHATIC SULPHIDES,SULPHONES AND SULPHOXIDES AND THEIR PHARMACEUTICAL USE | Lilly Industries Limited (GB) | 1988-12-07 | — | — | EP | disclosed |
| US-4665189-A | LEUKOTRIENE ANTAGONISTS | LILLY INDUSTRIES LIMITED (GB) | 1987-05-12 | — | — | US | disclosed |
| EP-0201823-A2 | Novel intermediates for the production of pharmaceuticals | LILLY INDUSTRIES LIMITED (GB) | 1986-11-20 | — | — | EP | disclosed |
| EP-0134111-A1 | Araliphatic sulphides,sulphones and sulphoxides and their pharmaceutical use | Lilly Industries Limited (GB) | 1985-03-13 | — | — | EP | disclosed |
| EP-0052921-B1 | METHODS AND COMPOSITIONS FOR ASSAYING FOR THE PRODUCTION OF 1,4-DIHYDROPYRIDYL | SYVA COMPANY (US) | 1984-06-13 | — | — | EP | disclosed |