Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.53 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.53 |
| ▸ | PLAU | P00749 | 1/20 | 0.53 |
| ▸ | HPN | P05981 | 1/20 | 0.53 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.52 |
| ▸ | HCRTR1 | O43613 | 4/20 | 0.52 |
| ▸ | HCRTR2 | O43614 | 4/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL6157875 | 1.00 | MAPK1 (0.57) | MAPK1TSHRGAAHPGDRAB9A | |
| SCHEMBL19426636 | 0.91 | ITGB1 (0.59) | MAPK1RAB9AITGA4FKBP1APOLB | |
| SCHEMBL19426633 | 0.91 | ITGB1 (0.59) | MAPK1RAB9AITGA4FKBP1APOLB | |
| SCHEMBL6400256 | 0.89 | GAA (0.58) | MAPK1TSHRGAAHPGDRAB9A | |
| SCHEMBL6400260 | 0.89 | GAA (0.58) | MAPK1TSHRGAAHPGDRAB9A | |
| SCHEMBL6409441 | 0.87 | ITGA4 (0.55) | MAPK1TSHRGAAHPGDRAB9A | |
| SCHEMBL6409437 | 0.87 | ITGA4 (0.55) | MAPK1TSHRGAAHPGDRAB9A | |
| SCHEMBL5690332 | 0.86 | ITGA4 (0.59) | MAPK1TSHRGAAHPGDRAB9A | |
| SCHEMBL3849601 | 0.85 | ITGA4 (0.60) | MAPK1TSHRGAAHPGDRAB9A | |
| SCHEMBL6709486 | 0.84 | ITGA4 (0.59) | MAPK1TSHRGAAHPGDRAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1495044-A1 | HETEROCYCLIC AMIDES WITH ALPHA-4 INTEGRIN ANTAGONIST ACTIVITY | J. Uriach y Compania S.A. (ES) | 2005-01-12 | — | — | EP | disclosed |
| WO-2003084984-A1 | HETEROCYCLIC AMIDES WITH ALPHA-4 INTEGRIN ANTAGONIST ACTIVITY | J. URIACH Y COMPANIA S.A. (ES) | 2003-10-16 | — | — | WO | disclosed |