Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MLYCD | O95822 | 2/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 4/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | PLK1 | P53350 | 2/20 | 0.40 |
| ▸ | PLK3 | Q9H4B4 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3100909 | 0.97 | ALDH1A1 (0.47) | ALDH1A1CYP1A2CYP2C9HPGDCYP2C19 | |
| SCHEMBL3109619 | 0.93 | HPGD (0.48) | ALDH1A1CYP1A2CYP2C9HPGDCYP2C19 | |
| SCHEMBL3115801 | 0.89 | RAB9A (0.52) | RAB9ASMN1; SMN2GAAMLYCDHSP90AA1 | |
| SCHEMBL3107215 | 0.88 | CYP1A2 (0.42) | ALDH1A1CYP1A2CYP2C9HPGDCYP2C19 | |
| SCHEMBL3117985 | 0.88 | NPC1 (0.46) | ALDH1A1CYP1A2CYP2C9HPGDCYP2C19 | |
| SCHEMBL3112386 | 0.88 | OPRM1 (0.45) | ALDH1A1CYP1A2CYP2C9HPGDCYP2C19 | |
| SCHEMBL3106919 | 0.87 | CYP1A2 (0.43) | ALDH1A1CYP1A2CYP2C9HPGDCYP2C19 | |
| SCHEMBL3117372 | 0.87 | ALDH1A1 (0.42) | ALDH1A1CYP1A2CYP2C9HPGDCYP2C19 | |
| SCHEMBL3113646 | 0.87 | HPGD (0.49) | ALDH1A1CYP1A2CYP2C9HPGDCYP2C19 | |
| SCHEMBL3115976 | 0.87 | CYP1A2 (0.47) | ALDH1A1CYP1A2CYP2C9HPGDCYP2C19 |
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 | ALDH1A1 3580/4885CYP1A2 418/4885CYP2C9 494/4885 |
“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.