Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 5/20 | 0.51 |
| ▸ | DRD4 | P21917 | 4/20 | 0.51 |
| ▸ | CHRM1 | P11229 | 8/20 | 0.44 |
| ▸ | DRD3 | P35462 | 4/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.42 |
| ▸ | HTR3B | O95264 | 2/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.42 |
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.42 |
| ▸ | DRD1 | P21728 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL18639880 | 0.86 | CHRNA7 (0.40) | DRD2DRD4CHRM1DRD3MEN1 | |
| SCHEMBL3277971 | 0.85 | DRD2 (0.56) | DRD2DRD4CHRM1DRD3ADRA2C | |
| SCHEMBL30416496 | 0.85 | DRD2 (0.56) | DRD2DRD4CHRM1DRD3ADRA2C | |
| SCHEMBL6029951 | 0.85 | HTR1A (0.44) | DRD2CHRM1DRD3HTR3EHTR3B | |
| Hydrochloric Acid SCHEMBL5445211 | 0.84 | DRD2 (0.55) | DRD2DRD4CHRM1DRD3ADRA2C | |
| SCHEMBL9406688 | 0.81 | DRD2 (0.48) | DRD2DRD4CHRM1DRD3ADRA2C | |
| SCHEMBL23234145 | 0.80 | DRD2 (0.41) | DRD2DRD4CHRM1DRD3ADRA2C | |
| SCHEMBL5445017 | 0.80 | CHRM1 (0.49) | DRD2DRD4CHRM1DRD3ADRA2C | |
| SCHEMBL3685628 | 0.78 | HRH4 (0.51) | DRD2DRD4CHRM1DRD3ADRA2C | |
| Hydrochloric Acid SCHEMBL5606159 | 0.77 | HRH4 (0.50) | DRD2DRD4CHRM1DRD3ADRA2C |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010048264-A2 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS | COMBINATORX, INCORPORATED (US) | 2010-04-29 | — | — | WO | disclosed |
| EP-1691744-A4 | METHODS AND REAGENTS FOR THE TREATMENT OF INFLAMMATORY DISORDERS | COMBINATORX INC (US) | 2007-12-26 | — | — | EP | disclosed |
| WO-2007146012-A1 | TREATMENT OF PERIODONTAL DISEASE ASSOCIATED WITH INCREASED C-REACTIVE PROTEIN LEVELS | COMBINATORX, INCORPORATED (US) | 2007-12-21 | — | — | WO | disclosed |
| EP-1691744-A2 | METHODS AND REAGENTS FOR THE TREATMENT OF INFLAMMATORY DISORDERS | CombinatoRx, Incorporated (US) | 2006-08-23 | — | — | EP | disclosed |
| WO-2005048927-A2 | METHODS AND REAGENTS FOR THE TREATMENT OF INFLAMMATORY DISORDERS | COMBINATORX, INCORPORATED (US) | 2005-06-02 | — | — | WO | disclosed |
| EP-1100803-A2 | PYRROLO 2,1-B] 1,3]BENZOTHIAZEPINES WITH ATYPICAL ANTIPSYCHOTIC ACTIVITY | Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) | 2001-05-23 | — | — | EP | disclosed |
| WO-2000006579-A2 | PYRROLO[2,1-B][1,3]BENZOTHIAZEPINES WITH ATYPICAL ANTIPSYCHOTIC ACTIVITY | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 2000-02-10 | — | — | WO | disclosed |
| WO-1996029316-A1 | NEW SULFONE ESTER ANALOGUES OF iso-CLOZAPINE AND RELATED STRUCTURES: ATYPICAL NEUROLEPTICS | WIKSTROEM HAAKAN (NL) | 1996-09-26 | — | — | WO | disclosed |