Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 9/20 | 0.68 |
| ▸ | DRD2 | P14416 | 7/20 | 0.65 |
| ▸ | DRD3 | P35462 | 7/20 | 0.65 |
| ▸ | HTR2A | P28223 | 6/20 | 0.65 |
| ▸ | HTR7 | P34969 | 4/20 | 0.65 |
| ▸ | HTR6 | P50406 | 4/20 | 0.65 |
| ▸ | DRD4 | P21917 | 2/20 | 0.65 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.65 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.65 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.65 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.65 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.65 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.65 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.65 |
| ▸ | DRD1 | P21728 | 2/20 | 0.50 |
| ▸ | KDM1A | O60341 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL9400863 | 0.97 | HTR1A (0.68) | HTR1ADRD2DRD3HTR2AHTR7 | |
| SCHEMBL9481428 | 0.92 | HTR1A (0.60) | HTR1ADRD2DRD3HTR2AHTR7 | |
| SCHEMBL9480294 | 0.86 | HTR1A (0.62) | HTR1ADRD2DRD3HTR2AHTR7 | |
| SCHEMBL9401012 | 0.85 | HTR1A (0.55) | HTR1ADRD2DRD3HTR2AHTR7 | |
| Revospirone SCHEMBL1932725 | 0.81 | HTR1A (1.00) | HTR1ADRD2DRD3HTR2AHTR7 | |
| SCHEMBL9480415 | 0.81 | HTR1A (0.51) | HTR1ADRD2DRD3HTR2AHTR7 | |
| SCHEMBL9400903 | 0.80 | HTR1A (0.71) | HTR1ADRD2DRD3HTR2AHTR7 | |
| SCHEMBL7683751 | 0.80 | HTR1A (0.57) | HTR1ADRD2DRD3HTR2AHTR7 | |
| SCHEMBL9481518 | 0.79 | HTR1A (0.48) | HTR1ADRD2DRD3HTR2AHTR7 | |
| Ipsapirone SCHEMBL29356316 | 0.79 | DRD2 (1.00) | HTR1ADRD2DRD3HTR2AHTR7 |
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 |
|---|---|---|---|---|---|---|---|
| US-5187276-A | Anxiolytics, neuroleptics, antidepressants, and nootropic agents | TROPONWERKE GMBH & CO. KG. (DE) | 1993-02-16 | — | — | US | disclosed |
| US-4988809-A | CENTRAL NERVOUS SYSTEM | TROPONWERKE GMBH & CO., KG (DE) | 1991-01-29 | — | — | US | disclosed |
| US-4937343-A | NEUROLEPTICS OR ANTIDEPRESSANTS | TROPONWERKE GMBH & CO. KG (DE) | 1990-06-26 | — | — | US | disclosed |
| US-4818756-A | CENTRAL NERVOUS SYSTEM DISORDERS | TROPONWERKE GMBH & CO., KG (DE) | 1989-04-04 | — | — | US | disclosed |