Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 15/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.43 |
| ▸ | PYGL | P06737 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5153501 | 0.94 | ITGA4 (0.49) | ITGA4ALDH1A1LMNASMN1; SMN2ITGB1 | |
| SCHEMBL6544236 | 0.92 | ITGA4 (0.57) | ITGA4ALDH1A1LMNASMN1; SMN2ITGB1 | |
| SCHEMBL5151565 | 0.91 | ITGA4 (0.57) | ITGA4ALDH1A1LMNASMN1; SMN2ITGB1 | |
| SCHEMBL6212266 | 0.90 | ITGA4 (0.58) | ITGA4ALDH1A1LMNASMN1; SMN2ITGB1 | |
| SCHEMBL5155648 | 0.86 | ITGA4 (0.49) | ITGA4LMNAITGB1MAPTKMT2A | |
| SCHEMBL5151532 | 0.85 | ITGA4 (0.50) | ITGA4ALDH1A1LMNASMN1; SMN2ITGB1 | |
| SCHEMBL5153490 | 0.83 | ITGA4 (0.51) | ITGA4ALDH1A1LMNASMN1; SMN2ITGB1 | |
| SCHEMBL5149789 | 0.83 | ITGA4 (0.49) | ITGA4ALDH1A1LMNASMN1; SMN2ITGB1 | |
| SCHEMBL6543595 | 0.83 | ITGA4 (0.56) | ITGA4SMN1; SMN2ITGB1KMT2A | |
| SCHEMBL5152442 | 0.82 | ITGA4 (0.57) | ITGA4SMN1; SMN2ITGB1KMT2A |
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 |