Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.74 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.74 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.74 |
| ▸ | GRM4 | Q14833 | 7/20 | 0.48 |
| ▸ | GRM1 | Q13255 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CASP1 | P29466 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | CASP7 | P55210 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | ANPEP | P15144 | 2/20 | 0.44 |
| ▸ | DPP4 | P27487 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL31680519 | 0.85 | CYP3A4 (1.00) | CYP3A4NFKB1PMP22GRM4GRM1 | |
| SCHEMBL1322530 | 0.85 | CYP3A4 (1.00) | CYP3A4NFKB1PMP22GRM4GRM1 | |
| SCHEMBL1548403 | 0.85 | ESR1 (0.54) | CYP3A4NFKB1PMP22GRM4GRM1 | |
| SCHEMBL11621409 | 0.82 | CYP3A4 (0.51) | CYP3A4NFKB1PMP22GRM4GRM1 | |
| SCHEMBL11615649 | 0.82 | ALDH1A1 (0.55) | CYP3A4NFKB1PMP22GRM4GRM1 | |
| SCHEMBL11619214 | 0.81 | CYP3A4 (0.50) | CYP3A4NFKB1PMP22GRM4GRM1 | |
| SCHEMBL9573079 | 0.81 | ALDH1A1 (0.71) | CYP3A4NFKB1PMP22ALDH1A1NPC1 | |
| SCHEMBL9453286 | 0.79 | ALDH1A1 (0.63) | CYP3A4NFKB1PMP22ALDH1A1NPC1 | |
| SCHEMBL11620225 | 0.78 | ESR1 (0.50) | CYP3A4NFKB1PMP22GRM4GRM1 | |
| SCHEMBL11719686 | 0.78 | CYP3A4 (0.47) | CYP3A4NFKB1PMP22GRM4GRM1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4025505-A | ANTICONVULSANTS | CIBA-GEIGY CORPORATION (US) | 1977-05-24 | — | — | US | disclosed |