Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 6/20 | 0.42 |
| ▸ | S1PR5 | Q9H228 | 4/20 | 0.42 |
| ▸ | S1PR4 | O95977 | 3/20 | 0.42 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.42 |
| ▸ | CTSL | P07711 | 2/20 | 0.38 |
| ▸ | CTSB | P07858 | 2/20 | 0.38 |
| ▸ | CTSS | P25774 | 2/20 | 0.38 |
| ▸ | MRE11 | P49959 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.35 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.35 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5999096 | 0.91 | S1PR1 (0.44) | S1PR1S1PR5S1PR4S1PR3LTA4H | |
| SCHEMBL6000648 | 0.90 | ITGB3 (0.42) | S1PR1S1PR5S1PR4S1PR3CTSL | |
| SCHEMBL6000915 | 0.86 | CTSL (0.38) | CTSLCTSBCTSSMRE11TRPA1 | |
| SCHEMBL6001092 | 0.83 | CTSL (0.38) | S1PR1S1PR5S1PR4S1PR3CTSL | |
| SCHEMBL6001059 | 0.83 | RXRA (0.42) | S1PR1MRE11TRPA1KDM4EALDH1A1 | |
| SCHEMBL5999217 | 0.82 | STAT3 (0.39) | S1PR1S1PR5S1PR3MRE11TRPA1 | |
| SCHEMBL6000571 | 0.82 | S1PR1 (0.42) | S1PR1S1PR5S1PR4S1PR3CTSL | |
| SCHEMBL6000602 | 0.81 | STAT3 (0.41) | MRE11TRPA1 | |
| SCHEMBL6000063 | 0.80 | MRE11 (0.40) | S1PR1S1PR5MRE11TRPA1ALDH1A1 | |
| SCHEMBL5999733 | 0.80 | RXRA (0.42) | S1PR1MRE11TRPA1KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20060122181-A1 | Heteroaromatic pentacyclic compound and medicinal use thereof | JAPAN TOBACCO INC. (JP) | 2006-06-08 | — | — | US | claimed |
| EP-1553091-A1 | HETEROAROMATIC PENTACYCLIC COMPOUND AND MEDICINAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2005-07-13 | — | — | EP | claimed |
| US-20060122181-A1 | Heteroaromatic pentacyclic compound and medicinal use thereof | JAPAN TOBACCO INC. (JP) | 2006-06-08 | — | — | US | disclosed |
| EP-1553091-A1 | HETEROAROMATIC PENTACYCLIC COMPOUND AND MEDICINAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2005-07-13 | — | — | EP | 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-20060122181-A1 | Heteroaromatic pentacyclic compound and medicinal use thereof | PTPN11, PTPN1, PTPN3 | S1PR1 740/4885S1PR5 1297/4885S1PR4 1253/4885 |
“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.