Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.34 |
| ▸ | DRD3 | P35462 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | NMT1 | P30419 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SCN1A | P35498 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24508506 | 0.88 | NCF1 (0.43) | NCF1NPC1CHRM1HRH3CHRM2 | |
| SCHEMBL22597889 | 0.83 | NCF1 (0.41) | NCF1NPC1CHRM1HRH3CHRM2 | |
| SCHEMBL14076285 | 0.82 | NCF1 (0.50) | NCF1NPC1CHRM1HRH3CHRM2 | |
| SCHEMBL25636740 | 0.80 | NPC1 (0.44) | NPC1HRH3 | |
| SCHEMBL12049582 | 0.80 | NPC1 (0.42) | NCF1NPC1CHRM1HRH3CHRM2 | |
| SCHEMBL24661412 | 0.79 | SMN1; SMN2 (0.41) | NPC1HRH3CHRM3 | |
| SCHEMBL20224787 | 0.78 | NPC1 (0.41) | NCF1NPC1CHRM1HRH3CHRM2 | |
| SCHEMBL3425518 | 0.78 | NPC1 (0.41) | NCF1NPC1CHRM1HRH3CHRM2 | |
| SCHEMBL791729 | 0.78 | NPC1 (0.41) | NCF1NPC1CHRM1HRH3CHRM2 | |
| SCHEMBL11780411 | 0.78 | NPC1 (0.36) | NPC1 |
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-2021222353-A1 | MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. (US) | 2021-11-04 | — | — | WO | disclosed |