Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 4/20 | 0.50 |
| ▸ | PKLR | P30613 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | USP2 | O75604 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6409449 | 0.89 | CYP2C19 (0.49) | PKMALDH1A1HTTLMNAMEN1 | |
| SCHEMBL6417720 | 0.88 | ALDH1A1 (0.58) | ALDH1A1HSD17B10MEN1POLBTSHR | |
| SCHEMBL6410302 | 0.87 | SMN1; SMN2 (0.58) | PKMPKLRALDH1A1HSD11B1HTT | |
| SCHEMBL6410874 | 0.87 | PKM (0.46) | PKMPKLRALDH1A1HTTLMNA | |
| SCHEMBL6412295 | 0.87 | MEN1 (0.52) | ALDH1A1MEN1KMT2AL3MBTL1 | |
| SCHEMBL6410958 | 0.85 | PKM (0.52) | PKMPKLRNPC1RAB9AALDH1A1 | |
| SCHEMBL6409410 | 0.84 | FAAH (0.48) | ALDH1A1LMNAMEN1KMT2AKDM4E | |
| SCHEMBL6416071 | 0.81 | MEN1 (0.44) | PKMALDH1A1HSD11B1MEN1KMT2A | |
| SCHEMBL6418195 | 0.81 | POLB (0.55) | ALDH1A1HSD17B10MEN1POLBTSHR | |
| SCHEMBL6410504 | 0.81 | MEN1 (0.49) | ALDH1A1HTTLMNAMEN1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1401841-B1 | SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN | GRUENENTHAL GMBH (DE) | 2005-08-24 | — | — | EP | disclosed |