Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 6/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.38 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.38 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | QDPR | P09417 | 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 | |
|---|---|---|---|---|
| SCHEMBL18704630 | 0.87 | CYP1A2 (0.44) | EPHX2EPHX1CYP1A2TDP1KDM4E | |
| SCHEMBL30694005 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL22655738 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL19014334 | 0.82 | — | — | |
| SCHEMBL6747528 | 0.79 | ESR1 (0.39) | — | |
| SCHEMBL19014331 | 0.79 | CHRNB2 (0.43) | EPHX2EPHX1CHRNB2CHRNA3CHRNA4 | |
| SCHEMBL22680124 | 0.76 | HPGD (0.50) | EPHX1KDM4ESMN1; SMN2 | |
| SCHEMBL23207055 | 0.76 | HPGD (0.50) | EPHX1KDM4ESMN1; SMN2 | |
| SCHEMBL1008489 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL1790270 | 0.73 | — | — |
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-2022140428-A2 | INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. (US) | 2022-06-30 | — | — | WO | disclosed |