Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.54 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.54 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.54 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.54 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.52 |
| ▸ | PPARG | P37231 | 7/20 | 0.52 |
| ▸ | PPARD | Q03181 | 7/20 | 0.52 |
| ▸ | PPARA | Q07869 | 7/20 | 0.52 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.52 |
| ▸ | TSHR | P16473 | 4/20 | 0.52 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.52 |
| ▸ | TLR2 | O60603 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | FABP4 | P15090 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Butyric Acid SCHEMBL20720532 | 0.98 | ALDH1A1 (0.56) | ALDH1A1HSD17B10LMNAFFAR3HDAC3 | |
| Butyric Acid SCHEMBL31546267 | 0.94 | ALDH1A1 (0.67) | ALDH1A1HSD17B10LMNAFFAR3HDAC3 | |
| Butyric Acid SCHEMBL845266 | 0.94 | ALDH1A1 (0.67) | ALDH1A1HSD17B10LMNAFFAR3HDAC3 | |
| Hexanoate SCHEMBL5015262 | 0.92 | AKR1B1 (0.67) | ALDH1A1HSD17B10LMNAAKR1B1GPR84 | |
| Butyric Acid SCHEMBL27885948 | 0.91 | ALDH1A1 (0.64) | ALDH1A1HSD17B10LMNAFFAR3HDAC3 | |
| Butyric Acid SCHEMBL31534016 | 0.91 | PAM (0.56) | ALDH1A1HSD17B10LMNAAKR1B1GPR84 | |
| Stearic Acid SCHEMBL8132485 | 0.90 | GPR84 (0.68) | ALDH1A1HSD17B10LMNAAKR1B1GPR84 | |
| Heptanoate SCHEMBL9706299 | 0.90 | GPR84 (0.68) | ALDH1A1HSD17B10LMNAAKR1B1GPR84 | |
| Nonanoate SCHEMBL27628803 | 0.90 | GPR84 (0.68) | ALDH1A1HSD17B10LMNAAKR1B1GPR84 | |
| Octanoic Acid SCHEMBL7413713 | 0.90 | GPR84 (0.68) | ALDH1A1HSD17B10LMNAAKR1B1GPR84 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2386546-B1 | NOVEL PYRAZOLE-3-CARBOXAMIDE DERIVATE HAVING 5-HT2B RECEPTOR ANTAGONIST ACTIVITY | RAQUALIA PHARMA INC (JP) | 2015-08-19 | — | — | EP | disclosed |
| EP-2049541-A2 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008016192-A2 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-02-07 | — | — | WO | disclosed |
| EP-0510700-A2 | Azole compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-10-28 | — | — | EP | disclosed |
| US-5037852-A | Treating or reverting hair loss, acne or prostatic hypertrophy | ONO PHARMACEUTICAL CO., LTD. (JP) | 1991-08-06 | — | — | US | disclosed |