Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.43 |
| ▸ | RAB9A | P51151 | 7/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CLK1 | P49759 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 2/20 | 0.40 |
| ▸ | SENP8 | Q96LD8 | 2/20 | 0.40 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.40 |
| ▸ | SENP6 | Q9GZR1 | 2/20 | 0.40 |
| ▸ | P2RY2 | P41231 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 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 | |
|---|---|---|---|---|
| SCHEMBL30731280 | 0.75 | NPC1 (0.47) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL30731277 | 0.69 | NPC1 (0.51) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL334252 | 0.69 | NPC1 (0.61) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL6888209 | 0.68 | P2RY2 (0.53) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL6888217 | 0.68 | P2RY2 (0.53) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL29040239 | 0.68 | CASP3 (0.41) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL8314254 | 0.67 | NPC1 (0.77) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL16666139 | 0.67 | HCRTR1 (0.56) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL6395255 | 0.67 | P2RY2 (0.62) | SMN1; SMN2MAPTKDM4ELMNAP2RY2 | |
| SCHEMBL17958701 | 0.67 | HCRTR1 (0.56) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 |
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-3057957-A1 | CYCLOPENTYLBENZAMIDE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PSYCHOTIC AND COGNITIVE DISORDERS | Takeda Pharmaceutical Company Limited (JP) | 2016-08-24 | — | — | EP | disclosed |
| WO-2015055994-A1 | CYCLOPENTYLBENZAMIDE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PSYCHOTIC AND COGNITIVE DISORDERS | TAKEDA CAMBRIDGE LIMITED (GB) | 2015-04-23 | — | — | WO | disclosed |