Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 8/20 | 0.50 |
| ▸ | CYP1A1 | P04798 | 7/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 6/20 | 0.50 |
| ▸ | CA1 | P00915 | 3/20 | 0.34 |
| ▸ | CA9 | Q16790 | 3/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA7 | P43166 | 2/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.32 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7784100 | 0.81 | CYP1A2 (0.40) | CYP1A2CYP1A1CYP1B1CA1CA9 | |
| SCHEMBL7875475 | 0.73 | GAA (0.43) | CYP1A2CYP1A1CYP1B1CA1CA9 | |
| SCHEMBL18579572 | 0.70 | CYP1A2 (0.43) | CYP1A2CYP1A1CYP1B1CYP2B6 | |
| SCHEMBL29207958 | 0.69 | CYP1A2 (0.58) | CYP1A2CYP1A1CYP1B1CA9CYP2B6 | |
| SCHEMBL6629828 | 0.68 | CYP1A2 (0.47) | CYP1A2CYP1A1CYP1B1CA1CA9 | |
| Dipetalolactone SCHEMBL29489962 | 0.66 | CA12 (0.61) | CA1CA9CA12CA2CA7 | |
| SCHEMBL4536799 | 0.66 | CYP2B6 (0.47) | CYP1A2CYP1A1CYP1B1CYP2B6PDE4D | |
| SCHEMBL3094346 | 0.62 | CYP1A2 (0.37) | CYP1A2CYP1A1CYP1B1CA1CA9 | |
| SCHEMBL29809919 | 0.62 | CYP1A2 (0.37) | CYP1A2CYP1A1CYP1B1CA1CA9 | |
| SCHEMBL1815150 | 0.61 | CYP1A2 (0.43) | CYP1A2CYP1A1CYP1B1CA1CA9 |
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-20080280849-A1 | Synergic Combinations Comprising a Quinoline Compound and Other Hiv Infection Therapeutic Agents | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) | 2008-11-13 | — | — | US | claimed |
| US-20080280849-A1 | Synergic Combinations Comprising a Quinoline Compound and Other Hiv Infection Therapeutic Agents | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) | 2008-11-13 | — | — | US | disclosed |
| US-20060058284-A1 | Pyrrolidine and azetidine compounds as ccr5 antagonists | SMITHKLINE BEECHAM CORPORATION | 2006-03-16 | — | — | US | disclosed |
| US-20060052408-A1 | Cyclopropyl compounds as ccr5 antagonists | SMITHKLINE BEECHAM CORPORATION | 2006-03-09 | — | — | 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 (3 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-20060058284-A1 | Pyrrolidine and azetidine compounds as ccr5 antagonists | CCR5, CCL5, CXCR1 | CYP1A2 1317/4885CYP1A1 1423/4885CYP1B1 929/4885 |
| US-20080280849-A1 | Synergic Combinations Comprising a Quinoline Compound and Other Hiv Infection Therapeutic Agents | CTSL, CDKL1, QTRT2 | CYP1A2 530/4885CYP1A1 1381/4885CYP1B1 2554/4885 |
| US-20060052408-A1 | Cyclopropyl compounds as ccr5 antagonists | CCR5, CCR1, CCL5 | CYP1A2 1430/4885CYP1A1 1997/4885CYP1B1 1348/4885 |
“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.