Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | PRKCI | P41743 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL292510 | 0.95 | RAB9A (0.43) | RAB9ANPC1POLBKDM1AMAOA | |
| SCHEMBL292900 | 0.88 | RAB9A (0.45) | RAB9ANPC1POLBKDM1AMAOA | |
| SCHEMBL511968 | 0.87 | CHRM2 (0.51) | RAB9ANPC1POLBCHRM1GSK3B | |
| SCHEMBL9112990 | 0.86 | CTNNB1 (0.43) | RAB9ANPC1POLBKDM1AMAOA | |
| SCHEMBL5333274 | 0.83 | CHRM1 (0.42) | RAB9ANPC1POLBKDM1AMAOA | |
| SCHEMBL18601204 | 0.83 | ALOX5 (0.44) | RAB9ANPC1POLBKDM1AMAOA | |
| SCHEMBL14015076 | 0.82 | RAB9A (0.44) | RAB9ANPC1POLBKDM1AMAOA | |
| SCHEMBL80222 | 0.82 | PRKCI (0.46) | RAB9ANPC1POLBKDM1AMAOA | |
| SCHEMBL294415 | 0.82 | CHRM1 (0.52) | PRKCICHRM1CHRM5CHRM2CHRM3 | |
| SCHEMBL5791799 | 0.82 | PRKCI (0.46) | RAB9ANPC1POLBKDM1AMAOA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2287161-B1 | Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders | OTSUKA PHARMA CO LTD (JP) | 2012-05-09 | — | — | EP | disclosed |
| EP-2284169-B1 | Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders | OTSUKA PHARMA CO LTD (JP) | 2012-03-14 | — | — | EP | disclosed |