Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.55 |
| ▸ | PPARG | P37231 | 1/20 | 0.54 |
| ▸ | PPARA | Q07869 | 1/20 | 0.54 |
| ▸ | TPH1 | P17752 | 3/20 | 0.48 |
| ▸ | MME | P08473 | 1/20 | 0.48 |
| ▸ | MMEL1 | Q495T6 | 1/20 | 0.48 |
| ▸ | ITGA4 | P13612 | 9/20 | 0.47 |
| ▸ | ITGB7 | P26010 | 3/20 | 0.47 |
| ▸ | ITGB1 | P05556 | 8/20 | 0.47 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.47 |
| ▸ | BRS3 | P32247 | 1/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5213839 | 0.86 | PPARG (0.63) | PPARGPPARATPH1MMEMMEL1 | |
| SCHEMBL7227938 | 0.86 | PPARG (0.63) | PPARGPPARATPH1MMEMMEL1 | |
| SCHEMBL31398354 | 0.86 | PPARG (0.63) | PPARGPPARATPH1MMEMMEL1 | |
| Hydrochloric Acid SCHEMBL28745095 | 0.85 | ROCK2 (0.50) | TPH1ROCK2ROCK1 | |
| Phenylalanine SCHEMBL1703069 | 0.81 | PPARG (0.63) | PPARGPPARATPH1MMEMMEL1 | |
| Dl-Phenylalanine SCHEMBL28033224 | 0.81 | PPARG (0.63) | PPARGPPARATPH1MMEMMEL1 | |
| SCHEMBL3467962 | 0.81 | PPARG (0.54) | SLC13A5PPARGPPARAMMEMMEL1 | |
| SCHEMBL16147892 | 0.80 | SLC1A5 (0.53) | — | |
| SCHEMBL16147891 | 0.80 | SLC1A5 (0.53) | — | |
| SCHEMBL28741601 | 0.80 | SLC1A5 (0.53) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1034164-A4 | SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | MERCK & CO INC (US) | 2001-07-11 | — | — | EP | disclosed |
| EP-1034164-A1 | SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | Merck & Co., Inc. (US) | 2000-09-13 | — | — | EP | disclosed |
| WO-1999026921-A1 | SUBSTITUTED β-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 1999-06-03 | — | — | WO | disclosed |