Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 13/20 | 0.48 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.47 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | CTSS | P25774 | 4/20 | 0.45 |
| ▸ | RAMP1 | O60894 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL2211895 | 0.89 | CALCRL (0.49) | CALCRLCHRM4PARP1RAMP1 | |
| SCHEMBL31184549 | 0.88 | BRD4 (0.50) | CALCRLCHRM4PARP1CTSSRAMP1 | |
| SCHEMBL31184539 | 0.88 | BRD4 (0.50) | CALCRLCHRM4PARP1CTSSRAMP1 | |
| SCHEMBL2100919 | 0.88 | BRD4 (0.50) | CALCRLCHRM4PARP1CTSSRAMP1 | |
| Trifluoroacetic Acid SCHEMBL4781145 | 0.88 | CALCRL (0.46) | CALCRLRAMP1 | |
| Hydrochloric Acid SCHEMBL1812169 | 0.87 | BRD4 (0.49) | CALCRLCHRM4PARP1CTSSRAMP1 | |
| Trifluoroacetic Acid SCHEMBL17506387 | 0.83 | DPP4 (0.39) | CALCRLPARP1 | |
| Trifluoroacetic Acid SCHEMBL3967807 | 0.82 | MAPK1 (0.38) | CALCRLCHRM4PARP1 | |
| Trifluoroacetic Acid SCHEMBL3085405 | 0.81 | PARP1 (0.52) | PARP1 | |
| SCHEMBL3964481 | 0.81 | OPRM1 (0.49) | CALCRLCHRM4RAMP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008070014-A2 | BIARYL KETONE-SUBSTITUTED PIPERIDINES | NEUROGEN CORPORATION (US) | 2008-06-12 | — | — | WO | disclosed |
| WO-2008060568-A2 | AMIDE-SUBSTITUTED ARYL PIPERIDINES | NEUROGEN CORPORATION (US) | 2008-05-22 | — | — | WO | disclosed |