Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.56 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.54 |
| ▸ | PPARG | P37231 | 7/20 | 0.54 |
| ▸ | PPARD | Q03181 | 7/20 | 0.54 |
| ▸ | PPARA | Q07869 | 7/20 | 0.54 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.54 |
| ▸ | TSHR | P16473 | 4/20 | 0.54 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | TLR2 | O60603 | 2/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | FABP4 | P15090 | 2/20 | 0.54 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.54 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | ESR1 | P03372 | 1/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
| ▸ | PDE4A | P27815 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | PDE3A | Q14432 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21089636 | 0.87 | GPR84 (0.57) | AKR1B1GPR84PPARGPPARDPPARA | |
| SCHEMBL248584 | 0.84 | HDAC3 (0.61) | GPR84PPARGPPARDPPARAHDAC11 | |
| SCHEMBL249559 | 0.84 | HDAC3 (0.61) | GPR84PPARGPPARDPPARAHDAC11 | |
| SCHEMBL119271 | 0.84 | HDAC3 (0.61) | GPR84PPARGPPARDPPARAHDAC11 | |
| SCHEMBL2416986 | 0.84 | HDAC3 (0.61) | GPR84PPARGPPARDPPARAHDAC11 | |
| SCHEMBL3357547 | 0.84 | HSP90AA1 (0.57) | MEN1KMT2AFAAHHDAC3HDAC1 | |
| SCHEMBL6641767 | 0.84 | HSP90AA1 (0.57) | MEN1KMT2AFAAHHDAC3HDAC1 | |
| SCHEMBL6636306 | 0.84 | HSP90AA1 (0.57) | MEN1KMT2AFAAHHDAC3HDAC1 | |
| SCHEMBL4662735 | 0.84 | HDAC3 (0.61) | GPR84PPARGPPARDPPARAHDAC11 | |
| SCHEMBL4629704 | 0.84 | HDAC3 (0.61) | GPR84PPARGPPARDPPARAHDAC11 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1255748-A1 | BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-11-13 | — | — | EP | disclosed |
| WO-2001060813-A1 | BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-08-23 | — | — | WO | disclosed |