Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 5/20 | 0.48 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | THRA | P10827 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8337903 | 1.00 | SMPD1 (0.48) | SMPD1PDE4BCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL14448350 | 0.91 | MAPK1 (0.53) | PDE4BCYP1A2CYP3A4CYP2C9TSHR | |
| SCHEMBL4282581 | 0.91 | TSHR (0.54) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL8321183 | 0.90 | SMPD1 (0.41) | SMPD1PDE4BCYP1A2CYP3A4CYP2C9 | |
| Ethylene SCHEMBL6410194 | 0.89 | TSHR (0.51) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL3854627 | 0.84 | NPC1 (0.55) | SMPD1LMNAMAPT | |
| SCHEMBL3234539 | 0.84 | NPC1 (0.55) | SMPD1LMNAMAPT | |
| SCHEMBL3247280 | 0.84 | CYP3A4 (0.49) | PDE4BCYP1A2CYP3A4CYP2C9TSHR | |
| SCHEMBL14448347 | 0.83 | TSHR (0.50) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL3854017 | 0.83 | TUBB4A (0.48) | PDE4BCYP1A2CYP3A4CYP2C9TSHR |
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-20070032479-A1 | Treatment of inflammatory disorders of the epithelium with low dose 2,3-benzodiazepines | VELA ACQUISITION CORPORATION | 2007-02-08 | — | — | US | disclosed |
| WO-2004050080-A1 | TREATMENT OF INFLAMMATORY DISORDERS WITH 2,3-BENZODIAZEPINES | VELA PHARMACEUTICALS, INC. (US) | 2004-06-17 | — | — | WO | disclosed |
| WO-2004050616-A2 | TREATMENT OF IRRITABLE BOWEL SYNDROME AND NONULCER DYSPEPSIA WITH SUBSTITUTED 2,3-BENZODIAZEPINES | VELA PHARMACEUTICALS, INC. (US) | 2004-06-17 | — | — | WO | 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-20070032479-A1 | Treatment of inflammatory disorders of the epithelium with low dose 2,3-benzodiazepines | GABBR2, GABBR1, GABRB3 | SMPD1 4472/4885PDE4B 1503/4885CYP1A2 34/4885 |
“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.