Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.43 |
| ▸ | FEN1 | P39748 | 1/20 | 0.43 |
| ▸ | USP7 | Q93009 | 1/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.40 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.40 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.40 |
| ▸ | SMO | Q99835 | 3/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21289783 | 1.00 | CYP2A6 (0.52) | CYP2A6MAP4K4ADORA1HPGDKMT2A | |
| SCHEMBL25100959 | 0.95 | CYP2A6 (0.47) | CYP2A6MAP4K4ADORA1HPGDKMT2A | |
| SCHEMBL23487747 | 0.93 | L3MBTL1 (0.45) | CYP2A6MAP4K4ADORA1HPGDKMT2A | |
| SCHEMBL23487744 | 0.86 | ALOX5AP (0.44) | CYP2A6MAP4K4ADORA1HPGDKMT2A | |
| SCHEMBL21289780 | 0.84 | LDHA (0.43) | CYP2A6MAP4K4ADORA1HPGDKMT2A | |
| SCHEMBL24291892 | 0.84 | RXRA (0.41) | CYP2A6MAP4K4ADORA1HPGDKMT2A | |
| SCHEMBL25100524 | 0.84 | KIF11 (0.41) | CYP2A6MAP4K4ADORA1HPGDKMT2A | |
| SCHEMBL21290375 | 0.83 | ALOX5AP (0.40) | CYP2A6MAP4K4ADORA1HPGDKMT2A | |
| SCHEMBL21290222 | 0.83 | ROS1 (0.43) | MAP4K4ADORA1HPGDKMT2AL3MBTL1 | |
| SCHEMBL21290223 | 0.83 | L3MBTL1 (0.41) | CYP2A6MAP4K4ADORA1HPGDKMT2A |
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 4 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 |
| US-20230056324-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2023-02-23 | — | — | US | disclosed |
| US-20220098477-A1 | MONONUCLEAR IRIDIUM COMPLEXES CONTAINING THREE ORTHO-METALLATED BIDENTATE LIGANDS AND OPTICAL ORIENTATING ANISTROPHY | UDC IRELAND LIMITED (IE) | 2022-03-31 | — | — | US | disclosed |
| WO-2019158453-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2019-08-22 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20230056324-A1 | METAL COMPLEXES | MCU, IMMT, SOD1 | CYP2A6 4118/4885MAP4K4 4234/4885ADORA1 4716/4885 |
| US-20220098477-A1 | MONONUCLEAR IRIDIUM COMPLEXES CONTAINING THREE ORTHO-METALLATED BIDENTATE LIGANDS AND OPTICAL ORIENTATING ANISTROPHY | ICOSLG, CCL11, CCR3 | CYP2A6 4171/4885MAP4K4 1617/4885ADORA1 4102/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.