Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.48 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | TOP1 | P11387 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 2/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.35 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1456246 | 0.74 | MAPT (0.46) | CYP3A4CYP2C9CYP2C19NPC1HDAC4 | |
| SCHEMBL597347 | 0.73 | KDM4E (0.52) | CYP2A6CYP2B6CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL29723603 | 0.73 | KDM4E (0.52) | CYP2A6CYP2B6CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10338184 | 0.72 | — | — | |
| SCHEMBL30792004 | 0.72 | GOT1 (0.46) | NPC1CYP11B2HDAC4DHODH | |
| SCHEMBL1456807 | 0.72 | GOT1 (0.46) | NPC1CYP11B2HDAC4DHODH | |
| SCHEMBL29442588 | 0.72 | GOT1 (0.46) | NPC1CYP11B2HDAC4DHODH | |
| SCHEMBL121970 | 0.72 | RAB9A (0.50) | CYP2A6NPC1HDAC4DHODH | |
| SCHEMBL29959678 | 0.72 | RAB9A (0.50) | CYP2A6NPC1HDAC4DHODH | |
| SCHEMBL29779555 | 0.71 | WNT3A (0.51) | CYP2A6HDAC4DHODH |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107207472-A | Inhibitors of AKT kinase | 卑尔根生物股份公司 | 2017-09-26 | — | — | CN | disclosed |
| US-20060235021-A1 | Phenylpyridazine derivatives as ligands for gaba receptors | MERCK SHARP & DOHME LTD. (GB) | 2006-10-19 | — | — | US | disclosed |
| EP-0165753-B1 | HERBICIDAL THIOPHENESULFONAMIDES AND PYRIDINESULFONAMIDES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-12-11 | — | — | EP | disclosed |
| US-4723988-A | PLANT GROWTH REGULATORS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1988-02-09 | — | — | US | disclosed |
| US-4684393-A | PLATN GROWTH REGULATORS | E. I. DUPONT DE NEMOURS AND COMPANY (US) | 1987-08-04 | — | — | US | disclosed |
| EP-0165753-A2 | Herbicidal thiophenesulfonamides and pyridinesulfonamides | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1985-12-27 | — | — | 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-20060235021-A1 | Phenylpyridazine derivatives as ligands for gaba receptors | GABRA5, GABRA2, GABRA3 | CYP2A6 385/4885CYP2B6 387/4885CYP3A4 115/4885 |
“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.