Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.39 |
| ▸ | PPARG | P37231 | 7/20 | 0.39 |
| ▸ | PPARD | Q03181 | 7/20 | 0.39 |
| ▸ | PPARA | Q07869 | 7/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.39 |
| ▸ | TLR2 | O60603 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | FABP4 | P15090 | 2/20 | 0.39 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.39 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7395821 | 0.89 | FFAR3 (0.38) | ALDH1A1AKR1B1HCAR2GPR84PPARG | |
| SCHEMBL5548317 | 0.82 | ALDH1A1 (0.45) | ALDH1A1ATMHCAR2TSHRTDP1 | |
| SCHEMBL29290656 | 0.82 | NAAA (0.46) | ALDH1A1ATMHCAR2TSHRMAPT | |
| SCHEMBL8084070 | 0.82 | ALDH1A1 (0.45) | ALDH1A1AKR1B1ATMHCAR2GPR84 | |
| SCHEMBL7398462 | 0.82 | ALOX15 (0.38) | ALDH1A1TSHRALOX15HSD17B10KDM5A | |
| SCHEMBL1759123 | 0.81 | ALDH1A1 (0.44) | ALDH1A1AKR1B1ATMGPR84PPARG | |
| SCHEMBL855004 | 0.80 | ALDH1A1 (0.50) | ALDH1A1ATMHCAR2TSHRTDP1 | |
| SCHEMBL28061253 | 0.79 | NAAA (0.50) | ALDH1A1HCAR2TSHRMAPTRAB9A | |
| SCHEMBL20166093 | 0.76 | EPHX2 (0.49) | ALDH1A1AKR1B1GPR84PPARGPPARD | |
| Succinic Acid SCHEMBL28312238 | 0.76 | ALDH1A1 (0.39) | ALDH1A1AKR1B1ATMHCAR2GPR84 |
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 |