Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | BRD4 | O60885 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.37 |
| ▸ | ACACB | O00763 | 1/20 | 0.37 |
| ▸ | BCL2 | P10415 | 2/20 | 0.36 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3108744 | 0.89 | CYP1A2 (0.43) | CYP1A2CYP2C19ALDH1A1CYP2C9HPGD | |
| SCHEMBL3115976 | 0.87 | CYP1A2 (0.47) | CYP1A2CYP2C19ALDH1A1CYP2C9HPGD | |
| SCHEMBL3102732 | 0.86 | CYP1A2 (0.49) | CYP1A2CYP2C19ALDH1A1CYP2C9HPGD | |
| SCHEMBL3113646 | 0.85 | HPGD (0.49) | CYP1A2CYP2C19ALDH1A1CYP2C9HPGD | |
| SCHEMBL3116245 | 0.85 | TTK (0.41) | CYP1A2CYP2C19ALDH1A1CYP2C9HPGD | |
| SCHEMBL3112256 | 0.84 | MLYCD (0.44) | CYP1A2CYP2C19ALDH1A1CYP2C9HPGD | |
| SCHEMBL3109619 | 0.84 | HPGD (0.48) | CYP1A2CYP2C19ALDH1A1CYP2C9HPGD | |
| SCHEMBL3117985 | 0.84 | NPC1 (0.46) | CYP1A2CYP2C19ALDH1A1CYP2C9HPGD | |
| SCHEMBL3109208 | 0.83 | CYP1A2 (0.46) | CYP1A2CYP2C19ALDH1A1CYP2C9HPGD | |
| SCHEMBL3100909 | 0.82 | ALDH1A1 (0.47) | CYP1A2CYP2C19ALDH1A1CYP2C9HPGD |
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-7803822-B2 | Triazole derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-09-28 | — | — | US | disclosed |
| US-20090105253-A1 | Triazole Derivative and Use Thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-04-23 | — | — | US | disclosed |
| EP-1867331-A1 | TRIAZOLE DERIVATIVE AND THE USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2007-12-19 | — | — | 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-20090105253-A1 | Triazole Derivative and Use Thereof | F2R, HRH4, F2RL3 | CYP1A2 418/4885CYP2C19 334/4885ALDH1A1 3580/4885 |
“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.