Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 6/20 | 0.41 |
| ▸ | NOS3 | P29474 | 4/20 | 0.41 |
| ▸ | NOS2 | P35228 | 4/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29357835 | 0.90 | NOS1 (0.40) | NOS1NOS3NOS2ADRA1AHTR1A | |
| SCHEMBL1012779 | 0.90 | NOS1 (0.40) | NOS1NOS3NOS2ADRA1AHTR1A | |
| SCHEMBL9559207 | 0.78 | NOS1 (0.47) | NOS1NOS3NOS2ADRA1AADRA2A | |
| SCHEMBL145755 | 0.76 | NOS1 (0.50) | NOS1NOS3NOS2ADRA1AADRA2A | |
| SCHEMBL30074503 | 0.76 | NOS1 (0.50) | NOS1NOS3NOS2ADRA1AADRA2A | |
| SCHEMBL19565614 | 0.69 | ADRA1A (0.47) | NOS1NOS3NOS2ADRA1AADRA2A | |
| SCHEMBL3272037 | 0.67 | KDM4E (0.35) | NOS1NOS3NOS2CYP2D6ALDH1A1 | |
| SCHEMBL3922142 | 0.67 | NOS1 (0.40) | NOS1NOS3NOS2ADRA1A | |
| SCHEMBL16115899 | 0.67 | NOS1 (0.44) | NOS1NOS3NOS2HTR2A | |
| SCHEMBL165957 | 0.67 | NOS1 (0.42) | NOS1NOS3NOS2ADRA1A |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3836919-A1 | 1,3,4,9-TETRAHYDRO-2H-PYRIDO[3,4-B]INDOLE DERIVATIVE COMPOUNDS AND USES THEREOF | Recreo Pharmaceuticals Inc. (US) | 2021-06-23 | — | — | EP | disclosed |
| WO-2020037155-A1 | 1,3,4,9-TETRAHYDRO-2H-PYRIDO[3,4-B]INDOLE DERIVATIVE COMPOUNDS AND USES THEREOF | RECREO PHARMACEUTICALS LLC (US) | 2020-02-20 | — | — | WO | disclosed |
| EP-3472162-A1 | HETEROARYL ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | F. Hoffmann-La Roche AG (CH) | 2019-04-24 | — | — | EP | disclosed |
| EP-2508204-B1 | Remedies for diseases caused by vascular contraction or dilation | ONO PHARMACEUTICAL CO (JP) | 2014-09-24 | — | — | EP | disclosed |
| US-8765783-B2 | Pharmaceutical composition for treatment of disease due to vascular constriction or vasodilation | ONO PHARMACEUTICALS CO., LTD. (JP) | 2014-07-01 | — | — | US | disclosed |
| EP-1522314-B1 | REMEDIES FOR DISEASES CAUSED BY VASCULAR CONTRACTION OR DILATION | ONO PHARMACEUTICAL CO (JP) | 2014-03-05 | — | — | EP | disclosed |
| US-8637501-B2 | Azinone-substituted azepino[b]indole and pyrido-pyrrolo-azepine MCH-1 antagonists, methods of making, and use thereof | ALBANY MOLECULAR RESEARCH, INC. (US) | 2014-01-28 | — | — | US | disclosed |
| EP-2448585-B1 | AZINONE-SUBSTITUTED AZEPINO[B]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF | ALBANY MOLECULAR RES INC (US) | 2014-01-01 | — | — | EP | disclosed |
| EP-2508204-A2 | Remedies for diseases caused by vascular contraction or dilation | ONO PHARMACEUTICAL CO., LTD. (JP) | 2012-10-10 | — | — | EP | disclosed |
| US-20110003793-A1 | AZINONE-SUBSTITUTED AZEPINO[b]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF | ALBANY MOLECULAR RESEARCH, INC. (US) | 2011-01-06 | — | — | US | disclosed |
| US-20060148844-A1 | Pharmaceutical composition for treatment of disease due to vascular constriction or vasodilation | ONO PHARMACEUTICAL CO., LTD | 2006-07-06 | — | — | US | disclosed |
| EP-1522314-A1 | REMEDIES FOR DISEASES CAUSED BY VASCULAR CONTRACTION OR DILATION | ONO PHARMACEUTICAL CO., LTD. (JP) | 2005-04-13 | — | — | EP | 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-20060148844-A1 | Pharmaceutical composition for treatment of disease due to vascular constriction or vasodilation | EDNRA, EDNRB, CACNG5 | NOS1 357/4885NOS3 246/4885NOS2 305/4885 |
| US-20110003793-A1 | AZINONE-SUBSTITUTED AZEPINO[b]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF | MCHR1, MCHR2, HTR1E | NOS1 644/4885NOS3 1319/4885NOS2 1654/4885 |
“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.