Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 2/20 | 0.37 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.36 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.36 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | PARG | Q86W56 | 2/20 | 0.36 |
| ▸ | TAS2R8 | Q9NYW2 | 2/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KLKB1 | P03952 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5011708 | 0.87 | CYP1A2 (0.45) | NPC1RAB9AACKR3KDM4EALDH1A1 | |
| SCHEMBL5012778 | 0.81 | TP53 (0.37) | NPC1RAB9AALDH1A1 | |
| SCHEMBL5066991 | 0.76 | RAB9A (0.38) | NPC1RAB9AKDM4EALDH1A1CYP1A2 | |
| SCHEMBL1087064 | 0.76 | KMT2A (0.43) | POLBRXFP1NPC1RAB9ASIRT2 | |
| SCHEMBL5012930 | 0.70 | CNR2 (0.38) | CNR2ALDH1A1CYP1A2CYP3A4TSHR | |
| SCHEMBL5013344 | 0.69 | CNR2 (0.38) | POLBCNR2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL5011651 | 0.67 | CHRM2 (0.44) | KDM4EALDH1A1TSHR | |
| SCHEMBL5011764 | 0.65 | HTT (0.44) | CNR2ALDH1A1TSHR | |
| SCHEMBL1086550 | 0.60 | TSHR (0.49) | NPC1RAB9AALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL7359317 | 0.60 | KLKB1 (0.51) | POLBKDM4EALDH1A1PARGKLKB1 |
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-1910381-A2 | SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS | Grünenthal GmbH (DE) | 2008-04-16 | — | — | EP | disclosed |
| WO-2007000325-A2 | SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS | Grünenthal GmbH (DE) | 2007-01-04 | — | — | WO | disclosed |