Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.38 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6308791 | 0.97 | PARP1 (0.41) | PARP1PARP2KDM4CHRH3HRH4 | |
| SCHEMBL165242 | 0.96 | PARP1 (0.43) | PARP1PARP2KDM4CHRH3HRH4 | |
| SCHEMBL6304847 | 0.91 | KDM4C (0.40) | PARP1KDM4CHRH3ALDH1A1POLB | |
| SCHEMBL6302882 | 0.88 | KDM4C (0.40) | PARP1PARP2KDM4CHRH3ALDH1A1 | |
| SCHEMBL6302846 | 0.87 | PARP1 (0.45) | PARP1PARP2ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL6309532 | 0.80 | ALDH1A1 (0.37) | KDM4CALDH1A1SMN1; SMN2KDM4EPOLB | |
| SCHEMBL6671375 | 0.78 | ALDH1A1 (0.42) | KDM4CALDH1A1SMN1; SMN2KDM4EPOLB | |
| SCHEMBL31165619 | 0.77 | SMN1; SMN2 (0.44) | KDM4CALDH1A1SMN1; SMN2KDM4EPOLB | |
| SCHEMBL28289417 | 0.77 | ALDH1A1 (0.41) | KDM4CALDH1A1KDM4EKMT2ATDP1 | |
| SCHEMBL6305135 | 0.76 | ALDH1A1 (0.38) | HRH3HRH4ALDH1A1KMT2ATDP1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6852730-B2 | Substituted fused pyrazolecarboxylic acid arylamides and related compounds | NEUROGEN CORPORATION (US) | 2005-02-08 | — | — | US | claimed |
| EP-1472252-A1 | SUBSTITUTED FUSED PYRAZOLECARBOXYLIC ACID ARYLAMIDES AND RELATED COMPOUNDS | Neurogen Corporation (US) | 2004-11-03 | — | — | EP | claimed |
| US-20030216379-A1 | Substituted fused pyrazolecarboxylic acid arylamides and related compounds | NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE (US) | 2003-11-20 | — | — | US | claimed |
| WO-2003066634-A1 | SUBSTITUTED FUSED PYRAZOLECARBOXYLIC ACID ARYLAMIDES AND RELATED COMPOUNDS | NEUROGEN CORPORATION (US) | 2003-08-14 | — | — | WO | claimed |
| US-6949562-B2 | Heterocyclic compounds as ligands of the GABAA receptor | NEUROGEN CORPORATION (US) | 2005-09-27 | — | — | US | disclosed |
| US-6852730-B2 | Substituted fused pyrazolecarboxylic acid arylamides and related compounds | NEUROGEN CORPORATION (US) | 2005-02-08 | — | — | US | disclosed |
| EP-1472252-A1 | SUBSTITUTED FUSED PYRAZOLECARBOXYLIC ACID ARYLAMIDES AND RELATED COMPOUNDS | Neurogen Corporation (US) | 2004-11-03 | — | — | EP | disclosed |
| US-20030216379-A1 | Substituted fused pyrazolecarboxylic acid arylamides and related compounds | NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE (US) | 2003-11-20 | — | — | US | disclosed |
| WO-2003066634-A1 | SUBSTITUTED FUSED PYRAZOLECARBOXYLIC ACID ARYLAMIDES AND RELATED COMPOUNDS | NEUROGEN CORPORATION (US) | 2003-08-14 | — | — | WO | 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-20030216379-A1 | Substituted fused pyrazolecarboxylic acid arylamides and related compounds | GABRA5, GABRA2, GABRA1 | PARP1 2404/4885PARP2 2371/4885KDM4C 544/4885 |
“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.