Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERCC1 | P07992 | 1/20 | 0.45 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.45 |
| ▸ | VNN1 | O95497 | 4/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.39 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.38 |
| ▸ | KLK1 | P06870 | 1/20 | 0.38 |
| ▸ | MEP1A | Q16819 | 1/20 | 0.38 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL23978777 | 0.83 | ROCK2 (0.48) | ERCC1ERCC4VNN1ROCK2CNR1 | |
| SCHEMBL23978781 | 0.77 | MAOA (0.53) | ERCC1ERCC4VNN1ROCK2CNR1 | |
| SCHEMBL23978780 | 0.76 | ROCK2 (0.51) | ERCC1ERCC4VNN1ROCK2MAOA | |
| SCHEMBL19049391 | 0.75 | ERCC1 (0.64) | ERCC1ERCC4VNN1ROCK2MAOA | |
| SCHEMBL23978714 | 0.74 | CYP19A1 (0.35) | CHRM3 | |
| SCHEMBL23978863 | 0.74 | NPC1 (0.41) | — | |
| SCHEMBL38654611 | 0.72 | ERCC1 (0.59) | ERCC1ERCC4VNN1ROCK2CNR1 | |
| SCHEMBL8645386 | 0.72 | ERCC1 (0.59) | ERCC1ERCC4VNN1ROCK2CNR1 | |
| SCHEMBL23979015 | 0.72 | EPHX2 (0.44) | CNR1 | |
| SCHEMBL3461756 | 0.71 | ERCC1 (0.60) | ERCC1ERCC4VNN1ROCK2CNR1 |
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 |