Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | TLR4 | O00206 | 4/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8020201 | 0.90 | CYP1A2 (0.43) | CYP1A2HIF1AALDH1A1CHRM2CHRM4 | |
| SCHEMBL7718731 | 0.90 | CYP1A2 (0.43) | CYP1A2HIF1AALDH1A1CHRM2CHRM4 | |
| SCHEMBL8020205 | 0.90 | CYP1A2 (0.43) | CYP1A2HIF1AALDH1A1CHRM2CHRM4 | |
| SCHEMBL8999992 | 0.87 | CYP1A2 (0.45) | CYP1A2HIF1AALDH1A1CHRM2CHRM4 | |
| SCHEMBL9000000 | 0.87 | CYP1A2 (0.45) | CYP1A2HIF1AALDH1A1CHRM2CHRM4 | |
| SCHEMBL8999987 | 0.87 | CYP1A2 (0.45) | CYP1A2HIF1AALDH1A1CHRM2CHRM4 | |
| SCHEMBL8204237 | 0.81 | TLR4 (0.35) | TLR4HTT | |
| SCHEMBL3974808 | 0.79 | CYP1A2 (0.41) | CYP1A2HIF1AALDH1A1CHRM2CHRM4 | |
| SCHEMBL3301366 | 0.79 | CYP1A2 (0.46) | CYP1A2HIF1AALDH1A1BRD4KDM4E | |
| SCHEMBL9122696 | 0.78 | ALDH1A1 (0.46) | CYP1A2HIF1AALDH1A1TLR4TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-6506908-B2 | From bicyclo(3.1.0)hexabe; decyclization; decarboxylation | MERCK & CO., INC. | 2003-01-14 | — | — | US | disclosed |
| US-20020016492-A1 | Process for preparing 3-hydroxymethyl-4-(aryl or heterocyclic)-cyclopentanones | MERCK SHARP & DOHME CORP. | 2002-02-07 | — | — | US | 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 (1 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-20020016492-A1 | Process for preparing 3-hydroxymethyl-4-(aryl or heterocyclic)-cyclopentanones | CCR1, CCR5, CCR6 | CYP1A2 1129/4885HIF1A 2995/4885ALDH1A1 2952/4885 |
“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.