Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 3/20 | 0.47 |
| ▸ | MAOB | P27338 | 3/20 | 0.40 |
| ▸ | MAOA | P21397 | 2/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | GRM5 | P41594 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | GABRP | O00591 | 1/20 | 0.36 |
| ▸ | GABRD | O14764 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.36 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 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 | |
|---|---|---|---|---|
| SCHEMBL7815580 | 1.00 | SIGMAR1 (0.48) | SIGMAR1HTR2CMAOBMAOAADRA2A | |
| Hydrochloric Acid SCHEMBL8426944 | 0.98 | HTR2C (0.50) | SIGMAR1HTR2CMAOBMAOAADRA2A | |
| Hydrochloric Acid SCHEMBL8426941 | 0.98 | HTR2C (0.50) | SIGMAR1HTR2CMAOBMAOAADRA2A | |
| SCHEMBL8139170 | 0.82 | NFE2L2 (0.42) | NFE2L2 | |
| Hydrochloric Acid SCHEMBL8134303 | 0.81 | NFE2L2 (0.41) | HTR2CNFE2L2HTR6 | |
| Hydrochloric Acid SCHEMBL8134309 | 0.81 | NFE2L2 (0.41) | HTR2CNFE2L2HTR6 | |
| SCHEMBL14717198 | 0.76 | MAOB (0.46) | MAOBMAOAKMT2ANPC1RAB9A | |
| (Z)-1,2-Diphenylethene SCHEMBL3373157 | 0.73 | MAOB (0.52) | MAOBMAOAADRA2ANISCHKMT2A | |
| (Z)-1,2-Diphenylethene SCHEMBL3373155 | 0.73 | MAOB (0.52) | MAOBMAOAADRA2ANISCHKMT2A | |
| SCHEMBL14096765 | 0.69 | TSHR (0.35) | SIGMAR1HTR2CGABRPGABRDGABRA1 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0873317-B1 | PYRIMIDIN DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2001-04-11 | — | — | EP | disclosed |
| EP-0687267-B1 | PYRROLO-PYRIDINE DERIVATIVES AS LIGANDS OF DOPAMINE RECEPTOR | MERCK SHARP & DOHME (GB) | 1999-09-01 | — | — | EP | disclosed |
| EP-0873317-A1 | PYRIMIDIN DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1998-10-28 | — | — | EP | disclosed |
| US-5700809-A | Pyrrolo-pyridine derivatives | MERCK SHARP & DOHME, LTD. (GB) | 1997-12-23 | — | — | US | disclosed |
| EP-0717733-B1 | FUSED TRICYCLIC HETEROAROMATIC DERIVATIVES AS DOPAMINE RECEPTOR SUBTYPE LIGANDS | MERCK SHARP & DOHME (GB) | 1997-12-03 | — | — | EP | disclosed |
| US-5688798-A | PSYCHOTIC ILLNESS SUCH AS SCHIZOPHRENIA | HOFFMANN-LA ROCHE INC. (US) | 1997-11-18 | — | — | US | disclosed |
| US-5686480-A | Fused tricyclic heteroaromatic derivatives as dopamine receptor subtype ligands | MERCK, SHARP & DOHME, LTD. (GB) | 1997-11-11 | — | — | US | disclosed |
| US-5681836-A | Methanesulfonate salts of antipsychotic benzofuran derivatives | MERCK, SHARP & DOHME, LTD. (GB) | 1997-10-28 | — | — | US | disclosed |
| US-5665722-A | Benzofuran derivatives as D4 receptor antagonists | MERCK, SHARP & DOHME, LTD. (GB) | 1997-09-09 | — | — | US | disclosed |
| WO-1997013759-A1 | PYRIMIDIN DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1997-04-17 | — | — | WO | disclosed |
| EP-0717733-A1 | FUSED TRICYCLIC HETEROAROMATIC DERIVATIVES AS DOPAMINE RECEPTOR SUBTYPE LIGANDS | MERCK SHARP & DOHME LTD. (GB) | 1996-06-26 | — | — | EP | disclosed |
| EP-0687267-A1 | PYRROLO-PYRIDINE DERIVATIVES | MERCK SHARP & DOHME LTD. (GB) | 1995-12-20 | — | — | EP | disclosed |
| WO-1995007262-A1 | FUSED TRICYCLIC HETEROAROMATIC DERIVATIVES AS DOPAMINE RECEPTOR SUBTYPE LIGANDS | MERCK SHARP & DOHME LIMITED (GB) | 1995-03-16 | — | — | WO | disclosed |
| WO-1994020459-A2 | PYRROLO-PYRIDINE DERIVATIVES AS DOPAMINE RECEPTOR LIGANDS | MERCK SHARP & DOHME LIMITED (GB) | 1994-09-15 | — | — | WO | disclosed |
| US-4169200-A | HYPOTENSIVE | E. R. SQUIBB & SONS, INC. (US) | 1979-09-25 | — | — | US | disclosed |