Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KMO | O15229 | 1/20 | 0.37 |
| ▸ | LDHA | P00338 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 9/20 | 0.37 |
| ▸ | RAB9A | P51151 | 9/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.36 |
| ▸ | METAP2 | P50579 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18015262 | 0.76 | CYP1A2 (0.40) | CYP1A2CYP3A4CYP2C19KDM4EALDH1A1 | |
| SCHEMBL19780934 | 0.76 | CYP1A2 (0.40) | CYP1A2CYP3A4CYP2C19KDM4EALDH1A1 | |
| SCHEMBL18015344 | 0.74 | RAB9A (0.45) | KDM4EALDH1A1LDHANPC1RAB9A | |
| SCHEMBL458804 | 0.72 | CYP3A4 (0.47) | CYP1A2CYP3A4CYP2C19KDM4EALDH1A1 | |
| SCHEMBL18015342 | 0.72 | LDHA (0.54) | CYP1A2KDM4EALDH1A1LDHANPC1 | |
| SCHEMBL21290159 | 0.70 | CXCL12 (0.48) | CYP1A2CYP3A4CYP2C19NPC1RAB9A | |
| SCHEMBL28289931 | 0.70 | NPC1 (0.53) | CYP1A2KDM4EALDH1A1NPC1RAB9A | |
| SCHEMBL18015348 | 0.70 | PIM1 (0.44) | CYP1A2CYP3A4CYP2C19KDM4ELDHA | |
| SCHEMBL19801287 | 0.70 | RAB9A (0.39) | CYP1A2CYP3A4CYP2C19KDM4EALDH1A1 | |
| SCHEMBL19794341 | 0.69 | KMT2A (0.45) | KMOLDHANPC1RAB9AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3487865-B1 | DINUCLEAR AND OLIGONUCLEAR METAL COMPLEXES CONTAINING TRIPODAL BIDENTATE PART LIGANDS AND THEIR USE IN ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2022-11-23 | — | — | EP | disclosed |