Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PREP | P48147 | 4/20 | 0.41 |
| ▸ | CA12 | O43570 | 3/20 | 0.35 |
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | CA9 | Q16790 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7237737 | 1.00 | PREP (0.41) | PREPCA12CA1CA9CYP1A2 | |
| SCHEMBL5624168 | 0.87 | KDM4E (0.40) | PREPCA12CA1CA9MAPT | |
| SCHEMBL5624172 | 0.87 | KDM4E (0.40) | PREPCA12CA1CA9MAPT | |
| SCHEMBL7236266 | 0.86 | PREP (0.40) | PREPCA12CA1CA9CYP1A2 | |
| Hydrochloric Acid SCHEMBL7236572 | 0.85 | PREP (0.39) | PREPCA12CA1CA9KMT2A | |
| SCHEMBL1508406 | 0.85 | PREP (0.42) | PREPCA12CA1CA9NPSR1 | |
| SCHEMBL7236140 | 0.83 | PREP (0.43) | PREPCA12CA1CA9KMT2A | |
| SCHEMBL1508330 | 0.81 | FFAR1 (0.42) | PREP | |
| SCHEMBL17493569 | 0.80 | FFAR1 (0.39) | PREPCA12CA1CA9NPSR1 | |
| SCHEMBL17493578 | 0.80 | FFAR1 (0.39) | PREPCA12CA1CA9NPSR1 |
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 |