Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2236681 | 0.84 | KCNH2 (0.59) | CYP2A6KCNH2ALDH1A1LOXL2CYP2C19 | |
| SCHEMBL12203969 | 0.81 | KCNH2 (0.65) | CYP2A6KCNH2ALDH1A1GLACYP2C19 | |
| SCHEMBL23032123 | 0.79 | CYP2A6 (0.49) | CYP2A6KCNH2ALDH1A1GLACYP2C19 | |
| SCHEMBL996879 | 0.79 | CYP2A6 (0.49) | CYP2A6KCNH2ALDH1A1GLACYP2C19 | |
| SCHEMBL6318680 | 0.79 | APP (0.52) | CYP2A6KCNH2ALDH1A1GLACYP2C19 | |
| SCHEMBL1239417 | 0.79 | PYCR1 (0.56) | CYP2A6KCNH2ALDH1A1GLACYP2C19 | |
| SCHEMBL11947284 | 0.79 | CYP2A6 (0.49) | CYP2A6KCNH2ALDH1A1GLACYP2C19 | |
| SCHEMBL8136691 | 0.78 | CYP2A6 (0.61) | CYP2A6KCNH2ALDH1A1CYP2C19 | |
| SCHEMBL13849618 | 0.78 | KCNH2 (0.47) | CYP2A6KCNH2ALDH1A1GLACYP2C19 | |
| SCHEMBL10176271 | 0.78 | CYP2A6 (0.47) | CYP2A6KCNH2ALDH1A1GLACYP2C19 |
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-20030036653-A1 | Diaminopyridine-containing thiourea inhibitors of herpes viruses | AMERICAN HOME PRODUCTS CORPORATION | 2003-02-20 | — | — | US | disclosed |
| US-20020026055-A1 | Aminopyridine-containing thiourea inhibitors of herpes viruses | AMERICAN HOME PRODUCTS CORPORATION | 2002-02-28 | — | — | US | disclosed |
| US-20010039348-A1 | Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing a phenylenediamine group | AMERICAN HOME PRODUCTS CORPORATION (US) | 2001-11-08 | — | — | 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 (3 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-20030036653-A1 | Diaminopyridine-containing thiourea inhibitors of herpes viruses | HAVCR2, CCR6, CXCR6 | CYP2A6 97/4885KCNH2 213/4885ALDH1A1 3447/4885 |
| US-20010039348-A1 | Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing a phenylenediamine group | CCR6, HAVCR2, BCOR | CYP2A6 69/4885KCNH2 383/4885ALDH1A1 3620/4885 |
| US-20020026055-A1 | Aminopyridine-containing thiourea inhibitors of herpes viruses | TK1, TPMT, CXCR6 | CYP2A6 842/4885KCNH2 4/4885ALDH1A1 3601/4885 |
“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.