Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.33 |
| ▸ | ACLY | P53396 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | CFTR | P13569 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1949903 | 0.94 | CYP2A6 (0.37) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL17554817 | 0.86 | ALDH1A1 (0.35) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL2106490 | 0.80 | TGFBR1 (0.32) | CYP11B2 | |
| SCHEMBL1951009 | 0.79 | AKR1C3 (0.33) | CYP2A6 | |
| SCHEMBL2103791 | 0.79 | AR (0.31) | — | |
| SCHEMBL2103172 | 0.79 | CYP1A2 (0.31) | CYP1A2 | |
| SCHEMBL2104528 | 0.78 | CYP2A6 (0.33) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL2104340 | 0.78 | — | — | |
| SCHEMBL1949046 | 0.77 | — | — | |
| SCHEMBL1949359 | 0.77 | KIF11 (0.33) | CYP3A4CYP1A2KDM4EKIF11 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8163804-B2 | Composition for preventing harmful organisms | MITSUI CHEMICALS, INC. (JP) | 2012-04-24 | — | — | US | disclosed |
| US-20090162453-A1 | COMPOSITION FOR PREVENTING HARMFUL ORGANISMS | MITSUI CHEMICALS, INC (JP) | 2009-06-25 | — | — | 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-20090162453-A1 | COMPOSITION FOR PREVENTING HARMFUL ORGANISMS | PRDX3, CYP1A1, GSTA1 | CYP2A6 168/4885CYP3A4 76/4885ALDH1A1 406/4885 |
“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.