Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.36 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.36 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | DHFR | P00374 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4009013 | 0.77 | CYP2A6 (0.38) | CYP2A6GSTP1ESR1ESR2ALOX5 | |
| SCHEMBL4808002 | 0.76 | ALOX5 (0.38) | ESR2ALOX5DHFRSMN1; SMN2ALDH1A1 | |
| SCHEMBL30239998 | 0.66 | ESR1 (0.71) | CYP2A6GSTP1ESR1ESR2ALOX5 | |
| SCHEMBL30603836 | 0.66 | ESR1 (0.71) | CYP2A6GSTP1ESR1ESR2ALOX5 | |
| SCHEMBL30239993 | 0.66 | ESR1 (0.71) | CYP2A6GSTP1ESR1ESR2ALOX5 | |
| SCHEMBL5013872 | 0.66 | ESR1 (0.71) | CYP2A6GSTP1ESR1ESR2ALOX5 | |
| SCHEMBL239121 | 0.66 | ESR1 (0.71) | CYP2A6GSTP1ESR1ESR2ALOX5 | |
| SCHEMBL15902840 | 0.66 | ESR1 (0.71) | CYP2A6GSTP1ESR1ESR2ALOX5 | |
| SCHEMBL31039575 | 0.64 | ESR1 (0.76) | CYP2A6GSTP1ESR1ESR2ALOX5 | |
| SCHEMBL18260181 | 0.64 | ESR1 (0.76) | CYP2A6GSTP1ESR1ESR2ALOX5 |
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 |
|---|---|---|---|---|---|---|---|
| US-7037931-B2 | Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-05-02 | — | — | US | disclosed |
| US-20050026903-A1 | CCK-1 receptor modulators | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-02-03 | — | — | US | disclosed |
| US-20050020565-A1 | Pyrazole compound; gastrointestinal disorders; central nervous system disorders | JONES TODD K (US) | 2005-01-27 | — | — | 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 (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-20050020565-A1 | Pyrazole compound; gastrointestinal disorders; central nervous system disorders | CCKAR, CCKBR, NPY1R | CYP2A6 561/4885GSTP1 4210/4885ESR1 850/4885 |
| US-20050026903-A1 | CCK-1 receptor modulators | CCKAR, CCKBR, GLP1R | CYP2A6 985/4885GSTP1 4526/4885ESR1 202/4885 |
“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.