Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXA2R | P21731 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | DRD1 | P21728 | 2/20 | 0.47 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.47 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | DHFR | P00374 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.44 |
| ▸ | HCRTR2 | O43614 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10341096 | 1.00 | TBXA2R (0.53) | TBXA2RCYP3A4CYP2D6CYP2C19LMNA | |
| SCHEMBL10747245 | 0.87 | TBXA2R (0.57) | TBXA2RCYP3A4CYP2D6CYP2C19LMNA | |
| SCHEMBL10745092 | 0.87 | TBXA2R (0.57) | TBXA2RCYP3A4CYP2D6CYP2C19LMNA | |
| SCHEMBL10341061 | 0.84 | CYP2D6 (0.64) | CYP3A4CYP2D6CYP2C19LMNAMAPT | |
| SCHEMBL8199189 | 0.77 | DRD2 (0.71) | TBXA2RCYP2D6LMNADRD1ADRB2 | |
| SCHEMBL10108786 | 0.74 | TBXA2R (0.61) | TBXA2RLMNADRD1ADRB2ADRB1 | |
| SCHEMBL11715393 | 0.70 | HCRTR1 (0.58) | CYP3A4CYP2D6CYP2C19HCRTR1HCRTR2 | |
| SCHEMBL9416632 | 0.69 | DRD2 (0.72) | CYP3A4CYP2D6CYP2C19LMNAMAPT | |
| SCHEMBL3506766 | 0.69 | MTNR1B (0.69) | CYP3A4CYP2D6CYP2C19DRD1DRD2 | |
| SCHEMBL11712619 | 0.69 | ALDH1A1 (0.76) | LMNAMAPTNPSR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4678853-A | ADENYLATE CYCLASE INHIBITORS | T P O "PHARMACHIM" (BG) | 1987-07-07 | — | — | US | claimed |
| EP-0232569-B1 | 1-BENZYL-2-(N-SUBSTITUTED)-CARBAMOYL-TETRAHYDROISOQUINOLINES AND METHOD FOR THE PREPARATION THEREOF | T P O "PHARMACHIM" (BG) | 1990-03-14 | — | — | EP | disclosed |
| US-4678853-A | ADENYLATE CYCLASE INHIBITORS | T P O "PHARMACHIM" (BG) | 1987-07-07 | — | — | US | disclosed |