Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 3/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | AGER | Q15109 | 10/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1362147 | 0.97 | CYP1A2 (0.39) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL1360093 | 0.91 | CYP1A2 (0.42) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| Hydrochloric Acid SCHEMBL4815192 | 0.90 | CYP1A2 (0.39) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL1360001 | 0.90 | CYP1A2 (0.41) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL1362394 | 0.89 | TDP1 (0.47) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL1362048 | 0.88 | CYP1A2 (0.38) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL1361661 | 0.88 | ESR1 (0.38) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL1361758 | 0.87 | ICMT (0.42) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL1361314 | 0.87 | CYP3A4 (0.39) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL1362578 | 0.87 | TDP1 (0.44) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1491194-B1 | VDAC REGULATOR | TAKEDA PHARMACEUTICAL (JP) | 2013-10-30 | — | — | EP | disclosed |
| US-7462635-B2 | Thiazole and oxazole VDAC regulator | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-12-09 | — | — | US | disclosed |
| US-20050234116-A1 | Vdac regulator | TAKEDA CHEMICAL INDUSTRIES, LTD. | 2005-10-20 | — | — | 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 (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-20050234116-A1 | Vdac regulator | VDAC1, VDAC2, VDAC3 | CYP1A2 2861/4885CYP3A4 2775/4885CYP2D6 2120/4885 |
“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.