Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 1/20 | 0.58 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.53 |
| ▸ | HTR2C | P28335 | 1/20 | 0.53 |
| ▸ | PLAU | P00749 | 2/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | F12 | P00748 | 1/20 | 0.48 |
| ▸ | NCF1 | P14598 | 1/20 | 0.48 |
| ▸ | NOS3 | P29474 | 1/20 | 0.48 |
| ▸ | NOS1 | P29475 | 1/20 | 0.48 |
| ▸ | NOS2 | P35228 | 1/20 | 0.48 |
| ▸ | BACE1 | P56817 | 1/20 | 0.48 |
| ▸ | SORD | Q00796 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | PLG | P00747 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CFTR | P13569 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7646271 | 0.82 | COMT (0.52) | COMTHRH4HTR2CPLAUCYP2A6 | |
| SCHEMBL31556369 | 0.76 | MAPK1 (0.59) | COMTHRH4HTR2CPLAUCYP2A6 | |
| SCHEMBL6082267 | 0.74 | COMT (0.63) | COMTHRH4HTR2CSORDMAPT | |
| SCHEMBL1264765 | 0.74 | POLB (0.54) | COMTHRH4HTR2CPLAUCYP2A6 | |
| SCHEMBL29003692 | 0.73 | HRH4 (0.73) | HRH4HTR2CSORDMAPTALDH1A1 | |
| SCHEMBL30275021 | 0.73 | HRH4 (0.73) | HRH4HTR2CSORDMAPTALDH1A1 | |
| SCHEMBL15824969 | 0.73 | HRH4 (0.46) | COMTHRH4HTR2CPLAUCYP2A6 | |
| SCHEMBL4065670 | 0.72 | CDC7 (0.51) | COMTHRH4HTR2CPLAUCYP2A6 | |
| SCHEMBL4766806 | 0.72 | HRH4 (0.71) | HRH4HTR2CSORDMAPTALDH1A1 | |
| SCHEMBL3749098 | 0.71 | COMT (0.49) | COMTHRH4HTR2CPLAUCYP2A6 |
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-115974876-B | Method for preparing fullerene pyrrolidine isoquinoline based on participation of o-phenylacetylene benzaldehyde | 湖北大学 | 2025-05-23 | — | — | CN | disclosed |
| EP-1351950-B1 | ISOQUINOLINYL AROYL PYRROLE COMPOUNDS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS | ORTHO MCNEIL PHARM INC (US) | 2007-08-08 | — | — | EP | disclosed |
| EP-1351950-A2 | ISOINDOLYL AND ISOQUINOLINYL AROYL PYRROLE COMPOUNDS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS | Ortho-McNeil Pharmaceutical, Inc. (US) | 2003-10-15 | — | — | EP | disclosed |
| US-6492387-B2 | ADMINISTERED AS AN ANTICONVULSANT AGENT, ANTIEPILEPTIC AGENT, NEUROPROTECTIVE AGENT, MUSCLE RELAXANT AGENT AND AGENT FOR THE TREATMENT OF NEUROPATHIC PAIN. | ORTHO-MCNEIL PHARAMACEUTICAL, INC. | 2002-12-10 | — | — | US | disclosed |
| US-20020128286-A1 | Isoindolyl and isoquinolinyl aroyl pyrrole compounds | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2002-09-12 | — | — | US | disclosed |
| WO-2002057253-A2 | ISOINDOLYL AND ISOQUINOLINYL AROYL PYRROLE COMPOUNDS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2002-07-25 | — | — | 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-20020128286-A1 | Isoindolyl and isoquinolinyl aroyl pyrrole compounds | QPCT, INA, OPRK1 | COMT 14/4885HRH4 510/4885HTR2C 225/4885 |
“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.