Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | RYR2 | Q92736 | 7/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | HTR2B | P41595 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | SNCA | P37840 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11463305 | 0.73 | HSD17B3 (0.48) | MAOAMAOBRYR2KCNH2KDM4E | |
| SCHEMBL25659971 | 0.71 | RYR2 (0.45) | MAOAMAOBRYR2KCNH2LMNA | |
| SCHEMBL11003635 | 0.71 | CYP3A4 (0.36) | MAOAALDH1A1KMT2A | |
| SCHEMBL11002734 | 0.69 | RYR2 (0.46) | RYR2KCNH2KDM4EHTTPTGDR2 | |
| SCHEMBL11342238 | 0.68 | RAD52 (0.40) | HTTHTR2CHTR2BHTR2ASNCA | |
| SCHEMBL18287927 | 0.67 | ALDH1A1 (0.44) | MAOAKDM4EHTR2ASNCAALDH1A1 | |
| SCHEMBL9565814 | 0.67 | ALDH1A1 (0.40) | ALDH1A1NPC1MEN1MAPTKMT2A | |
| SCHEMBL9730758 | 0.67 | RYR2 (0.44) | RYR2KCNH2MTNR1A | |
| SCHEMBL9085563 | 0.67 | DRD2 (0.54) | RYR2KCNH2 | |
| SCHEMBL1686617 | 0.67 | KDM1A (0.42) | MAOAMAOBKDM4EHTR2CHTR2B |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4537976-A | Benzo[b]thiophenes | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1985-08-27 | — | — | US | disclosed |
| US-4528399-A | Benzo[b]thiophenes intermediates | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1985-07-09 | — | — | US | disclosed |
| US-4436748-A | HYPOTENSIVES, DIURETICS | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1984-03-13 | — | — | US | disclosed |
| EP-0050326-A2 | Benzo(b)thiophenes | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1982-04-28 | — | — | EP | disclosed |