Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | PYGL | P06737 | 3/20 | 0.37 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | TACR1 | P25103 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5150189 | 0.94 | MEN1 (0.38) | RAB9APYGLLPAR1CA12CA1 | |
| SCHEMBL6209429 | 0.81 | ITGA4 (0.41) | RAB9ANPC1PYGLGAA | |
| SCHEMBL5154861 | 0.75 | MAPT (0.41) | RAB9ANPC1GAAMEN1KMT2A | |
| SCHEMBL6207924 | 0.75 | ITGA4 (0.37) | RAB9AGAAMEN1KMT2A | |
| SCHEMBL5156521 | 0.74 | ITGA4 (0.45) | PYGLGAAMAPK1MEN1KMT2A | |
| SCHEMBL5157180 | 0.74 | ITGA4 (0.39) | RAB9ANPC1PYGLGAAMEN1 | |
| SCHEMBL6543574 | 0.68 | ALDH1A1 (0.41) | RAB9ANPC1PYGLMEN1KMT2A | |
| SCHEMBL5157221 | 0.67 | ITGA4 (0.48) | — | |
| SCHEMBL6273679 | 0.67 | ITGA4 (0.47) | PYGLGAAMAPK1MEN1KMT2A | |
| SCHEMBL6208148 | 0.67 | ITGA4 (0.45) | PYGLGAAMAPK1MEN1KMT2A |
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-6756378-B2 | BENZYL -UREA, -THIOUREA, OR -GUANIDINE DERIVATIVES THAT INHIBIT THE BINDING OF LIGANDS TO ALPHA 4 BETA 1 INTEGRIN (VLA-4) | PHARMACOPEIA DRUG DISCOVERY, INC. | 2004-06-29 | — | — | US | disclosed |