Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.37 |
| ▸ | RAB9A | P51151 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.37 |
| ▸ | RELA | Q04206 | 2/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.36 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.36 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | ACVR1B | P36896 | 1/20 | 0.36 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.36 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL9733257 | 0.79 | CYP3A4 (0.41) | CYP1A2NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL19668632 | 0.79 | TAAR1 (0.48) | CYP1A2NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL28800404 | 0.77 | KDM4E (0.39) | CYP1A2KDM4EMAPTBMPR1BPDGFRB | |
| SCHEMBL6233506 | 0.74 | BMPR1B (0.36) | CYP1A2KDM4EBMPR1BPDGFRBKDR | |
| SCHEMBL987383 | 0.73 | DDB1 (0.37) | CYP1A2NPC1RAB9AKDM4EMAPT | |
| SCHEMBL20993216 | 0.73 | DDB1 (0.37) | CYP1A2NPC1RAB9AKDM4EMAPT | |
| SCHEMBL20993362 | 0.73 | DDB1 (0.37) | CYP1A2NPC1RAB9AKDM4EMAPT | |
| SCHEMBL28156000 | 0.73 | HRH1 (0.44) | — | |
| SCHEMBL3703819 | 0.72 | MEN1 (0.55) | CYP1A2NPC1RAB9ASMN1; SMN2KDM4E | |
| Hydrochloric Acid SCHEMBL6965524 | 0.72 | DDB1 (0.36) | CYP1A2NPC1RAB9AKDM4EMAPT |
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-1025097-B1 | 1-(2-NAPHTHYL) AND 1-(2-AZANAPHTHYL)-4-(1-PHENYLMETHYL)PIPERAZINES BEING DOPAMINE D 4? RECEPTOR SUBTYPE LIGANDS | NEUROGEN CORP (US) | 2005-04-27 | — | — | EP | disclosed |
| CN-1191248-C | 1-(2-naphthyl) and 1(2-azanaphthyl)-4-(1-phenylmethyl)piperazines being dopamine D4 receptor subtype ligands | NEUROGEN CORP (US) | 2005-03-02 | — | — | CN | disclosed |
| US-6384224-B2 | FOR THERAPY AND PROPHYLAXIS OF PSYCHOTIC DISORDERS SUCH AS SCHIZOPHRENIA AND OTHER CENTRAL NERVOUS SYSTEM DISEASE | NEUROGEN CORPORATION | 2002-05-07 | — | — | US | disclosed |
| US-6331629-B1 | TREATMENT OF NEURO-PSYCHOLOGICAL DISORDERS | NEUROGEN CORPORATION | 2001-12-18 | — | — | US | disclosed |
| US-6040448-A | USEFUL FOR TREATMENT OR PREVENTION OF PSYCHOTIC DISORDERS SUCH AS SCHIZOPHRENIA AND OTHER CENTRAL NERVOUS SYSTEM DISEASES. | NEUROGEN CORPORATION (US) | 2000-03-21 | — | — | US | disclosed |