Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.60 |
| ▸ | CA9 | Q16790 | 11/20 | 0.58 |
| ▸ | CA12 | O43570 | 10/20 | 0.58 |
| ▸ | CA1 | P00915 | 6/20 | 0.52 |
| ▸ | CA4 | P22748 | 6/20 | 0.52 |
| ▸ | CA6 | P23280 | 4/20 | 0.50 |
| ▸ | CA7 | P43166 | 4/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.50 |
| ▸ | CA5A | P35218 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA3 | P07451 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL14802634 | 1.00 | CYP2A6 (0.60) | CYP2A6CA9CA12CA1CA4 | |
| SCHEMBL14329524 | 1.00 | CYP2A6 (0.60) | CYP2A6CA9CA12CA1CA4 | |
| SCHEMBL14473801 | 0.90 | CA12 (0.63) | CA9CA12CA1CA4CA6 | |
| SCHEMBL14329509 | 0.90 | CA12 (0.63) | CA9CA12CA1CA4CA6 | |
| SCHEMBL14329536 | 0.89 | CYP2A6 (0.57) | CYP2A6CA9CA12CA1CA4 | |
| SCHEMBL14329517 | 0.87 | CYP2A6 (0.62) | CYP2A6CA9CA12CA1CA4 | |
| SCHEMBL14820896 | 0.84 | CA9 (0.69) | CYP2A6CA9CA12CA1CA4 | |
| SCHEMBL12284161 | 0.82 | CA12 (0.52) | CYP2A6CA9CA12CA1CA4 | |
| SCHEMBL27995656 | 0.82 | CYP2A6 (0.69) | CYP2A6CA9CA12CA1CA4 | |
| SCHEMBL14802523 | 0.82 | CYP2A6 (0.64) | CYP2A6CA9CA12CA1CA4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130079394-A1 | Indirect modeling of new repellent molecules active against insects, acarids, and other arthropods | CNRS (CENTRE NATIONAL RECHERCHE SCIENTIFIQUE) (FR) | 2013-03-28 | — | — | 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-20130079394-A1 | Indirect modeling of new repellent molecules active against insects, acarids, and other arthropods | NISCH, ACAT2, CIAPIN1 | CYP2A6 1212/4885CA9 2910/4885CA12 3214/4885 |
“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.