Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KMO | O15229 | 2/20 | 0.39 |
| ▸ | LDHA | P00338 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 8/20 | 0.39 |
| ▸ | RAB9A | P51151 | 8/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | METAP2 | P50579 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 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 | |
|---|---|---|---|---|
| SCHEMBL21202772 | 0.81 | LDHA (0.57) | CYP3A4KDM4EALDH1A1LDHANPC1 | |
| SCHEMBL19801287 | 0.79 | RAB9A (0.39) | CYP1A2CYP3A4CYP2C19KDM4EALDH1A1 | |
| SCHEMBL18015262 | 0.79 | CYP1A2 (0.40) | CYP1A2CYP3A4CYP2C19KDM4EALDH1A1 | |
| SCHEMBL25755971 | 0.78 | GAA (0.44) | KDM4EALDH1A1HPGDKDM1A | |
| SCHEMBL24680646 | 0.76 | CYP1A2 (0.38) | CYP1A2CYP3A4CYP2C19KDM4EALDH1A1 | |
| SCHEMBL458804 | 0.75 | CYP3A4 (0.47) | CYP1A2CYP3A4CYP2C19KDM4EALDH1A1 | |
| SCHEMBL18015342 | 0.75 | LDHA (0.54) | CYP1A2KDM4EALDH1A1LDHANPC1 | |
| SCHEMBL22563607 | 0.75 | RAB9A (0.39) | CYP1A2CYP3A4CYP2C19KDM4EALDH1A1 | |
| SCHEMBL22695597 | 0.75 | RAB9A (0.39) | CYP1A2CYP3A4CYP2C19KDM4EALDH1A1 | |
| SCHEMBL24681559 | 0.74 | RAB9A (0.38) | CYP1A2CYP3A4CYP2C19KDM4EALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3484868-B1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2020-11-25 | — | — | EP | disclosed |
| WO-2018011186-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2018-01-18 | — | — | WO | disclosed |