Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 7/20 | 0.73 |
| ▸ | CA12 | O43570 | 6/20 | 0.73 |
| ▸ | ELANE | P08246 | 1/20 | 0.69 |
| ▸ | CA2 | P00918 | 1/20 | 0.65 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.61 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.61 |
| ▸ | HPGD | P15428 | 1/20 | 0.61 |
| ▸ | DRD2 | P14416 | 7/20 | 0.60 |
| ▸ | DRD4 | P21917 | 3/20 | 0.60 |
| ▸ | DRD3 | P35462 | 3/20 | 0.60 |
| ▸ | DRD5 | P21918 | 2/20 | 0.60 |
| ▸ | ACHE | P22303 | 1/20 | 0.60 |
| ▸ | HTR1A | P08908 | 5/20 | 0.60 |
| ▸ | HTR2A | P28223 | 5/20 | 0.60 |
| ▸ | HTR7 | P34969 | 5/20 | 0.60 |
| ▸ | HTR6 | P50406 | 5/20 | 0.60 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL5120710 | 0.95 | CA9 (0.72) | CA9CA12ELANECA2HDAC1 | |
| SCHEMBL17329453 | 0.84 | CA9 (0.73) | CA9CA12ELANECA2HDAC1 | |
| SCHEMBL1758371 | 0.84 | CA9 (1.00) | CA9CA12ELANECA2HDAC1 | |
| SCHEMBL6324557 | 0.84 | CA9 (0.73) | CA9CA12ELANECA2HDAC1 | |
| SCHEMBL7932914 | 0.84 | CA9 (0.74) | CA9CA12ELANECA2HDAC1 | |
| SCHEMBL29739791 | 0.83 | CA9 (0.71) | CA9CA12ELANECA2HDAC1 | |
| SCHEMBL14560535 | 0.83 | CA9 (0.97) | CA9CA12ELANECA2HDAC1 | |
| Hydrogen Sulfide SCHEMBL28848798 | 0.83 | CA9 (0.97) | CA9CA12ELANECA2HDAC1 | |
| SCHEMBL4033933 | 0.83 | CA9 (0.71) | CA9CA12ELANECA2HDAC1 | |
| SCHEMBL5354797 | 0.83 | CA9 (0.71) | CA9CA12ELANECA2HDAC1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0220051-B1 | ISOTHIAZOLONE DERIVATIVES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1991-06-12 | — | — | EP | disclosed |
| US-4732984-A | Piperazinoisothiazolones with psychotropic activity | AMERICAN HOME PRODUCTS CORPORATION (US) | 1988-03-22 | — | — | US | disclosed |
| EP-0060610-B1 | HEXAHYDRO-TRANS- AND TETRAHYDROPYRIDOINDOLE NEUROLEPTIC AGENTS | PFIZER INC. (US) | 1985-09-04 | — | — | EP | disclosed |
| US-4432978-A | NEUROLEPTIC AGENTS, TRANQUILIZERS | PFIZER INC. (US) | 1984-02-21 | — | — | US | disclosed |
| US-4431649-A | TRANQUILIZERS | PFIZER INC. (US) | 1984-02-14 | — | — | US | disclosed |
| US-4431646-A | TRANQUILIZERS; PSYCHOSIS; NERVOUS SYSTEM DISORDERS | PFIZER INC. (US) | 1984-02-14 | — | — | US | disclosed |
| US-4427679-A | TRANQUILIZERS; PSYCHOLOGICAL DISORDERS | PFIZER INC. (US) | 1984-01-24 | — | — | US | disclosed |
| EP-0060610-A1 | Hexahydro-trans- and tetrahydropyridoindole neuroleptic agents | PFIZER INC. (US) | 1982-09-22 | — | — | EP | disclosed |
| US-4337250-A | NEUROLEPTIC AGENTS | PFIZER INC. (US) | 1982-06-29 | — | — | US | disclosed |