Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | NCF1 | P14598 | 1/20 | 0.34 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.32 |
| ▸ | HTR3A | P46098 | 1/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.31 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.31 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30336944 | 0.81 | FGFR4 (0.36) | CYP1A2FGFR4PTGDR2 | |
| SCHEMBL23978659 | 0.81 | FGFR4 (0.36) | CYP1A2FGFR4PTGDR2PDE10A | |
| SCHEMBL30336865 | 0.81 | FGFR4 (0.36) | CYP1A2FGFR4PTGDR2PDE10A | |
| SCHEMBL23978658 | 0.81 | FGFR4 (0.36) | CYP1A2FGFR4PTGDR2 | |
| SCHEMBL23979061 | 0.78 | MAPT (0.36) | FGFR4 | |
| SCHEMBL12003727 | 0.72 | CYP1A2 (0.56) | CYP1A2NCF1HTR3AHRH4PDE10A | |
| SCHEMBL31391395 | 0.72 | CYP1A2 (0.56) | CYP1A2NCF1HTR3AHRH4PDE10A | |
| SCHEMBL3337226 | 0.71 | CYP1A2 (0.47) | CYP1A2NCF1HTR3AHRH4 | |
| Hydrochloric Acid SCHEMBL10583130 | 0.70 | CYP1A2 (0.47) | CYP1A2NCF1 | |
| SCHEMBL26496227 | 0.69 | KMT2A (0.38) | — |
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 |