Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 2/20 | 0.30 |
| ▸ | APLNR | P35414 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | FPR1 | P21462 | 1/20 | 0.30 |
| ▸ | MYC | P01106 | 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 | |
|---|---|---|---|---|
| SCHEMBL725361 | 0.78 | GABRA1 (0.34) | CYP3A4 | |
| SCHEMBL9021551 | 0.65 | ADORA2B (0.48) | CYP3A4CYP1A2CYP2D6PDE4AADORA2A | |
| SCHEMBL760499 | 0.64 | ITGB2 (0.32) | CYP3A4 | |
| SCHEMBL4760870 | 0.62 | — | — | |
| SCHEMBL5960570 | 0.62 | GABRA1 (0.33) | — | |
| SCHEMBL9798176 | 0.62 | CYP3A4 (0.42) | CYP3A4CYP1A2CYP2D6ADORA2AADORA2B | |
| SCHEMBL10663436 | 0.60 | — | — | |
| SCHEMBL9065044 | 0.60 | GABRA1 (0.40) | CYP3A4CYP1A2GAAMAPTKDM4E | |
| SCHEMBL12802320 | 0.60 | GABRA1 (0.40) | CYP3A4CYP1A2GAAMAPTKDM4E | |
| SCHEMBL9318 | 0.60 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7122572-B2 | For use in Hydrogen Bonding Liquid Chromatography, environmental remediation by removal of undesired ions or neutral molecules, removal of phosphate for kidney dialysis, drug delivery, separation | BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) | 2006-10-17 | — | — | US | disclosed |
| US-7041819-B2 | Halogenated calixpyrroles and uses thereof | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2006-05-09 | — | — | US | disclosed |
| WO-2003018548-A2 | HALOGENATED CALIXPYRROLES, CALIXPYRIDINOPYRROLES AND CALIXPYRIDINES, AND USES THEREOF | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2003-03-06 | — | — | WO | disclosed |
| US-20020115566-A1 | Halogenated calixpyrroles, calixpyridinopyrroles and calixpyridines, and uses thereof | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM | 2002-08-22 | — | — | US | disclosed |
| US-20020026047-A1 | Calixpyrroles, calixpyridinopyrroles, and calixpyridines | BOARD OF REGENTS, THE | 2002-02-28 | — | — | US | disclosed |
| US-6262257-B1 | SELECTIVE ION- AND NEUTRAL MOLECULE-BINDING AGENTS FORMING SUPRAMOLECULAR ENSEMBLES, AND ION- AND NEUTRAL MOLECULE-SEPARATION AGENTS | BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM | 2001-07-17 | — | — | 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-20020115566-A1 | Halogenated calixpyrroles, calixpyridinopyrroles and calixpyridines, and uses thereof | CALD1, CALU, CLASP1 | CYP3A4 724/4885CYP1A2 2249/4885CYP2D6 1289/4885 |
| US-20020026047-A1 | Calixpyrroles, calixpyridinopyrroles, and calixpyridines | CALD1, DAP3, CALR | CYP3A4 1339/4885CYP1A2 3644/4885CYP2D6 2528/4885 |
“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.