Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 2/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.32 |
| ▸ | MMEL1 | Q495T6 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 2/20 | 0.31 |
| ▸ | EGFR | P00533 | 3/20 | 0.31 |
| ▸ | XDH | P47989 | 1/20 | 0.31 |
| ▸ | PLK4 | O00444 | 1/20 | 0.30 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.30 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.30 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.30 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13745745 | 0.90 | NPC1 (0.45) | NPC1ALDH1A1LMNARAB9ASMN1; SMN2 | |
| SCHEMBL177186 | 0.90 | NPC1 (0.45) | NPC1ALDH1A1LMNARAB9ASMN1; SMN2 | |
| SCHEMBL176745 | 0.75 | CNR2 (0.59) | NPC1ALDH1A1LMNARAB9ASMN1; SMN2 | |
| SCHEMBL4223942 | 0.74 | CYP1A2 (0.50) | NPC1ALDH1A1LMNARAB9ASMN1; SMN2 | |
| SCHEMBL4912008 | 0.74 | CYP1A2 (0.50) | NPC1ALDH1A1LMNARAB9ASMN1; SMN2 | |
| SCHEMBL13011106 | 0.74 | CNR2 (0.59) | NPC1ALDH1A1LMNARAB9ASMN1; SMN2 | |
| SCHEMBL13011108 | 0.74 | CNR2 (0.59) | NPC1ALDH1A1LMNARAB9ASMN1; SMN2 | |
| SCHEMBL4214854 | 0.73 | ALDH1A1 (0.44) | NPC1ALDH1A1LMNARAB9ASMN1; SMN2 | |
| SCHEMBL4213967 | 0.73 | ALDH1A1 (0.44) | NPC1ALDH1A1LMNARAB9ASMN1; SMN2 | |
| SCHEMBL4225105 | 0.73 | ALDH1A1 (0.44) | NPC1ALDH1A1LMNARAB9ASMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008115705-A2 | HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-09-25 | — | — | WO | disclosed |