Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | PNMT | P11086 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16954229 | 0.84 | PNMT (0.39) | CYP1A2CYP2A6PNMTTRPA1ALDH1A1 | |
| SCHEMBL10163053 | 0.83 | CYP1A2 (0.42) | CYP1A2CYP2A6PNMTTRPA1ALDH1A1 | |
| SCHEMBL21668181 | 0.82 | PNMT (0.40) | CYP1A2PNMTLMNASIGMAR1CYP2D6 | |
| SCHEMBL13548277 | 0.82 | PNMT (0.48) | PNMTLMNASIGMAR1CYP2C9SLC6A2 | |
| SCHEMBL14316658 | 0.82 | THRB (0.43) | PNMTLMNANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL3098498 | 0.82 | CSNK2A1 (0.51) | CYP2A6PNMTSLC6A2SLC6A3 | |
| SCHEMBL19380499 | 0.80 | CYP1A2 (0.40) | CYP1A2CYP2A6PNMTALDH1A1LMNA | |
| SCHEMBL12305573 | 0.79 | KDM4E (0.42) | PNMTALDH1A1LMNAMAPTTDP1 | |
| SCHEMBL13547944 | 0.79 | ESR1 (0.39) | CYP1A2PNMTALDH1A1LMNAMAPT | |
| SCHEMBL27751650 | 0.79 | TAAR1 (0.60) | CYP1A2CYP2A6PNMTALDH1A1LMNA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019118358-A1 | HEPATITIS B CAPSID ASSEMBLY MODULATORS | VenatoRx Pharmaceuticals, Inc. (US) | 2019-06-20 | — | — | WO | disclosed |
| US-20140371223-A1 | NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS | ADDEX PHARMA S.A. (CH) | 2014-12-18 | — | — | US | disclosed |
| US-8779129-B2 | Triazinedione derivatives as GABAB receptor modulators | ADDEX PHARMA S.A. (CH) | 2014-07-15 | — | — | US | disclosed |
| US-8623889-B2 | Substituted 6,6-fused nitrogenous heterocyclic compounds and uses thereof | GENENTECH, INC. (US) | 2014-01-07 | — | — | US | disclosed |
| US-20130123262-A1 | NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS | ADDEX PHARMA S.A. (CH) | 2013-05-16 | — | — | 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 (2 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-20140371223-A1 | NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS | CHRNA5, GABRA5, GABRB3 | CYP1A2 1541/4885CYP2A6 1652/4885PNMT 887/4885 |
| US-20130123262-A1 | NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS | CHRNA5, GABRA5, GABRB3 | CYP1A2 1541/4885CYP2A6 1652/4885PNMT 887/4885 |
“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.