Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 2/20 | 0.39 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | TGM2 | P21980 | 3/20 | 0.37 |
| ▸ | F13A1 | P00488 | 2/20 | 0.37 |
| ▸ | TGM1 | P22735 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.36 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.36 |
| ▸ | ACE | P12821 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | CCR1 | P32246 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TGM6 | O95932 | 1/20 | 0.34 |
| ▸ | ITGAL | P20701 | 1/20 | 0.34 |
| ▸ | KAT2B | Q92831 | 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 | |
|---|---|---|---|---|
| SCHEMBL23978822 | 0.88 | ITGA4 (0.45) | ITGA4ITGB1ITGA5ITGAL | |
| SCHEMBL23979136 | 0.88 | ITGA4 (0.38) | ITGA4TGM2F13A1TGM1POLB | |
| SCHEMBL30083835 | 0.85 | ITGA4 (0.34) | ITGA4CAPN1CTSSTGM2F13A1 | |
| SCHEMBL24804252 | 0.84 | EPHX2 (0.43) | — | |
| SCHEMBL24805441 | 0.84 | EPHX2 (0.43) | — | |
| SCHEMBL23978823 | 0.82 | ITGA4 (0.36) | ITGA4TGM2F13A1TGM1POLB | |
| SCHEMBL24803399 | 0.79 | EPHX2 (0.41) | ITGA4CAPN1CTSSTGM2F13A1 | |
| SCHEMBL24805438 | 0.79 | EPHX2 (0.41) | ITGA4CAPN1CTSSTGM2F13A1 | |
| SCHEMBL30083824 | 0.79 | CAPN1 (0.37) | ITGA4CAPN1CTSSTGM2F13A1 | |
| SCHEMBL23978784 | 0.78 | ITGB2 (0.44) | ITGA4MAPTTDP1ITGAL |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021222789-A1 | INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2021-11-04 | — | — | WO | disclosed |