Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCL12 | P48061 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | JAK2 | O60674 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.43 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.43 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.43 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.41 |
| ▸ | TDO2 | P48775 | 5/20 | 0.41 |
| ▸ | IDO1 | P14902 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL21290360 | 0.76 | NPC1 (0.42) | NPC1RAB9ATDO2IDO1MAPT | |
| SCHEMBL458804 | 0.76 | CYP3A4 (0.47) | CYP1A2CYP3A4CYP2C19NPC1RAB9A | |
| SCHEMBL16385279 | 0.74 | KDM4E (0.48) | CXCL12CYP1A2CYP3A4CYP2C19NPC1 | |
| SCHEMBL21290300 | 0.74 | DGAT1 (0.46) | NPC1RAB9ACASP3SENP7TDO2 | |
| SCHEMBL23956201 | 0.73 | NPC1 (0.40) | CYP3A4NPC1RAB9ATDO2IDO1 | |
| SCHEMBL23956221 | 0.73 | TGFBR1 (0.42) | CYP1A2CYP2C19NPC1RAB9ATDO2 | |
| SCHEMBL21586164 | 0.73 | ERN1 (0.49) | CXCL12CYP1A2CYP3A4CYP2C19ALOX5 | |
| SCHEMBL19780934 | 0.72 | CYP1A2 (0.40) | CYP1A2CYP3A4CYP2C19NPC1RAB9A | |
| SCHEMBL18015262 | 0.72 | CYP1A2 (0.40) | CYP1A2CYP3A4CYP2C19NPC1RAB9A | |
| SCHEMBL1425419 | 0.72 | S1PR1 (0.42) | NPC1RAB9AMAPTLMNAPOLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3752512-B1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2023-03-01 | — | — | EP | disclosed |
| EP-3601304-B1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2021-10-27 | — | — | EP | disclosed |
| WO-2019158453-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2019-08-22 | — | — | WO | disclosed |