Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 3/20 | 0.55 |
| ▸ | HTR2A | P28223 | 2/20 | 0.55 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 2/20 | 0.37 |
| ▸ | ACP3 | P15309 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.36 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.36 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL31437040 | 0.92 | HRH1 (0.47) | HRH1HTR2ACYP19A1ESR1TAAR1 | |
| SCHEMBL6000442 | 0.88 | HRH1 (0.52) | HRH1HTR2ACYP19A1ESR1TAAR1 | |
| SCHEMBL18888699 | 0.84 | HRH1 (0.47) | HRH1HTR2ACYP19A1ESR1KIF11 | |
| Dimethylamine SCHEMBL10776458 | 0.82 | CYP19A1 (0.46) | HRH1HTR2ACYP19A1ESR1ACP3 | |
| SCHEMBL5724894 | 0.82 | CYP19A1 (0.46) | HRH1HTR2ACYP19A1ESR1ACP3 | |
| SCHEMBL5726722 | 0.80 | CYP19A1 (0.45) | HRH1HTR2ACYP19A1ESR1ACP3 | |
| SCHEMBL15656257 | 0.80 | CYP19A1 (0.45) | HRH1HTR2ACYP19A1ESR1ACP3 | |
| SCHEMBL516440 | 0.79 | ESR1 (0.48) | HRH1HTR2ACYP19A1ESR1TAAR1 | |
| SCHEMBL15656563 | 0.78 | CYP19A1 (0.44) | HRH1HTR2ACYP19A1ESR1ACP3 | |
| SCHEMBL14310625 | 0.78 | HRH1 (0.63) | HRH1HTR2ACYP19A1ESR1TAAR1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0812318-B1 | 4-AMINOTETRAHYDROBENZISOXAZOLE OR -ISOTHIAZOLE COMPOUNDS | LUNDBECK & CO AS H (DK) | 2006-02-08 | — | — | EP | disclosed |
| US-6174909-B1 | FOR TREATING ANALGESIA, PSYCHOSIS, CONVULSIONS, EPILEPSY, ANXIETY, MUSCULAR AND MOVEMENT DISORDERS, SPASTIC DISORDERS OR SYMPTOMS OF HUNTINGTON'S OR PARKINSONS DISEASE | H. LUNDBECK A/S (DK) | 2001-01-16 | — | — | US | disclosed |
| US-5998613-A | PSYCHOLOGICAL DISORDERS; ANALGESICS; ANTICONVULSANTS | H. LUNDBECK A/S (DK) | 1999-12-07 | — | — | US | disclosed |
| EP-0812318-A1 | 4-AMINOTETRAHYDROBENZISOXAZOLE OR -ISOTHIAZOLE COMPOUNDS | H. LUNDBECK A/S (DK) | 1997-12-17 | — | — | EP | disclosed |
| WO-1996026929-A1 | 4-AMINOTETRAHYDROBENZISOXAZOLE OR -ISOTHIAZOLE COMPOUNDS | H. LUNDBECK A/S (DK) | 1996-09-06 | — | — | WO | disclosed |