Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.50 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.44 |
| ▸ | MARS1 | P56192 | 2/20 | 0.43 |
| ▸ | CNR1 | P21554 | 5/20 | 0.41 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.41 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.39 |
| ▸ | CRHR1 | P34998 | 3/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.38 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.37 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.37 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.37 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3364790 | 0.90 | PARP1 (0.50) | PARP1MARS1CNR1CXCR2CRHR1 | |
| SCHEMBL3367655 | 0.81 | MARS1 (0.44) | PARP1MARS1CNR1CRHR1 | |
| SCHEMBL3364024 | 0.76 | CRHR1 (0.49) | CRHR1 | |
| SCHEMBL3364716 | 0.76 | CNR1 (0.46) | CNR1CRHR1 | |
| SCHEMBL3361832 | 0.69 | CRHR1 (0.52) | CRHR1 | |
| SCHEMBL10085614 | 0.69 | PARP1 (0.66) | PARP1CACNA1GCACNA1HCACNA1IPKM | |
| Hydrochloric Acid SCHEMBL3364528 | 0.68 | CRHR1 (0.51) | CRHR1 | |
| Trifluoroacetic Acid SCHEMBL4701873 | 0.67 | CNR1 (0.43) | CNR1CRHR1 | |
| SCHEMBL2268172 | 0.67 | PARP1 (1.00) | PARP1 | |
| Trifluoroacetic Acid SCHEMBL4698869 | 0.66 | KDM4E (0.40) | CNR1CRHR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1656353-B1 | GABANERGIC MODULATORS | HOFFMANN LA ROCHE (CH) | 2010-01-27 | — | — | EP | disclosed |
| EP-1656353-A1 | GABANERGIC MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-05-17 | — | — | EP | disclosed |
| US-20050101614-A1 | For example, 7-(2,4-Dichloro-phenyl)-2-methyl-2H-pyrazolo[4,3-b]pyridine; for treatment of depression, an anxiety disorder, a psychiatric disorder, a learning or cognitive disorder, a sleep disorder, a convulsive or seizure disorder, or pain | ROCHE PALO ALTO LLC | 2005-05-12 | — | — | US | disclosed |
| WO-2005016892-A1 | GABANERGIC MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-02-24 | — | — | 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-20050101614-A1 | For example, 7-(2,4-Dichloro-phenyl)-2-methyl-2H-pyrazolo[4,3-b]pyridine; for treatment of depression, an anxiety disorder, a psychiatric disorder, a learning or cognitive disorder, a sleep disorder, a convulsive or seizure disorder, or pain | HTR2C, GABRA2, GABRA4 | PARP1 3305/4885GPR52 262/4885MARS1 4700/4885 |
“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.