Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYGL | P06737 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | LNPEP | Q9UIQ6 | 3/20 | 0.36 |
| ▸ | ERAP2 | Q6P179 | 2/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.35 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5149792 | 0.90 | MEN1 (0.41) | PYGLKDM4EMAPTRAB9ANPC1 | |
| SCHEMBL6543574 | 0.85 | ALDH1A1 (0.41) | PYGLKDM4ERAB9ANPC1PDE4D | |
| SCHEMBL5152038 | 0.84 | MEN1 (0.41) | PYGLMAPTRAB9ASMN1; SMN2PDE4D | |
| SCHEMBL5151912 | 0.81 | ITGA4 (0.46) | MAPTRAB9ANPC1SMN1; SMN2MEN1 | |
| SCHEMBL5157221 | 0.77 | ITGA4 (0.48) | SMN1; SMN2ITGA4ITGB1CHEK1 | |
| SCHEMBL5152912 | 0.76 | ITGA4 (0.51) | PYGLKDM4EMAPTRAB9ANPC1 | |
| SCHEMBL6207924 | 0.74 | ITGA4 (0.37) | MAPTRAB9ALNPEPERAP2MEN1 | |
| SCHEMBL5153126 | 0.73 | ITGA4 (0.48) | MAPTRAB9ANPC1SMN1; SMN2MEN1 | |
| SCHEMBL5156521 | 0.72 | ITGA4 (0.45) | PYGLSMN1; SMN2MEN1KMT2AITGA4 | |
| SCHEMBL5151749 | 0.72 | ITGA4 (0.43) | MAPTMEN1KMT2AITGA4ITGB1 |
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 |