Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | THRA | P10827 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.42 |
| ▸ | HSD17B3 | P37058 | 5/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL31073608 | 0.85 | HSD17B3 (0.60) | CES2CES1NPC1RAB9AMAPT | |
| SCHEMBL31073614 | 0.85 | HSD17B3 (0.60) | CES2CES1NPC1RAB9AMAPT | |
| SCHEMBL6359903 | 0.84 | HDAC6 (0.55) | CES2CES1NPC1RAB9ADRD2 | |
| SCHEMBL9431809 | 0.83 | CES2 (0.50) | CES2CES1NPC1RAB9ADRD2 | |
| SCHEMBL6809579 | 0.82 | CES2 (0.46) | CES2CES1NPC1RAB9ADRD2 | |
| SCHEMBL7389336 | 0.82 | HTT (0.56) | RAB9ALMNAMAPTTDP1THRA | |
| SCHEMBL7005013 | 0.80 | NPC1 (0.74) | NPC1RAB9AL3MBTL1LMNAMAPT | |
| SCHEMBL7392018 | 0.80 | NPC1 (0.74) | NPC1RAB9AL3MBTL1LMNAMAPT | |
| SCHEMBL366866 | 0.80 | PTPN1 (0.61) | CES2CES1NPC1RAB9A | |
| SCHEMBL29628387 | 0.80 | PTPN1 (0.61) | CES2CES1NPC1RAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5864039-A | THERAPEUTIC TREATMENT OF VARIOUS GASTROINTESTINAL DISEASES, CENTRAL NERVOUS DISORDERS, CARDIOVASCULAR DISORDERS, URINARY DISEASES, UROGENITAL DISORDERS | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1999-01-26 | — | — | US | disclosed |
| EP-0873990-A1 | BENZOIC ACID COMPOUNDS AND MEDICINAL USE THEREOF | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1998-10-28 | — | — | EP | disclosed |