Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 2/20 | 0.43 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 6/20 | 0.40 |
| ▸ | ITGAL | P20701 | 1/20 | 0.40 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.39 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.39 |
| ▸ | PYGL | P06737 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3872877 | 1.00 | ITGB1 (0.43) | ITGB1ITGA4ROCK2ROCK1PPARG | |
| SCHEMBL3877125 | 0.96 | MEN1 (0.42) | ITGB1ITGA4ROCK2ROCK1PPARG | |
| SCHEMBL3872382 | 0.94 | ITGB1 (0.43) | ITGB1ITGA4ROCK2ROCK1PPARG | |
| SCHEMBL3869581 | 0.93 | MEN1 (0.43) | ITGB1ITGA4CTSLNR1H4MEN1 | |
| SCHEMBL3876648 | 0.93 | ITGB1 (0.47) | ITGB1ITGA4ROCK2ROCK1PPARG | |
| SCHEMBL3866963 | 0.92 | ITGB1 (0.45) | ITGB1ITGA4ROCK2ROCK1PPARG | |
| SCHEMBL3866004 | 0.92 | ITGB1 (0.46) | ITGB1ITGA4ROCK2ROCK1PPARG | |
| SCHEMBL3875583 | 0.91 | MEN1 (0.45) | ITGB1ITGA4ROCK2ROCK1PPARG | |
| SCHEMBL3866516 | 0.91 | ROCK2 (0.47) | ITGB1ITGA4ROCK2ROCK1PPARG | |
| SCHEMBL12361222 | 0.91 | ROCK2 (0.47) | ITGB1ITGA4ROCK2ROCK1PPARG |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7491741-B2 | Diaminopropionic acid derivatives | HOFFMANN-LA ROCHE INC. (US) | 2009-02-17 | — | — | US | disclosed |