Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 2/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | SCD | O00767 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL5011597 | 0.82 | PLAAT3 (0.41) | ALDH1A1KDM4ELMNACYP3A4CYP2C19 | |
| SCHEMBL5015097 | 0.77 | ALDH1A1 (0.42) | ALDH1A1KDM4ELMNAHPGDTDP1 | |
| SCHEMBL4272821 | 0.76 | TACR2 (0.40) | ALDH1A1KDM4ELMNAHPGDTDP1 | |
| SCHEMBL5011711 | 0.75 | MAPT (0.46) | ALDH1A1LMNACYP3A4CYP2C19GAA | |
| SCHEMBL1086526 | 0.69 | EPHX2 (0.45) | ALDH1A1KDM4ELMNAHPGDTDP1 | |
| SCHEMBL5015147 | 0.67 | KMT2A (0.37) | ALDH1A1KDM4EPOLBEPHX2ATM | |
| SCHEMBL5067054 | 0.67 | KDM4E (0.36) | ALDH1A1KDM4ETDP1POLBEPHX2 | |
| SCHEMBL5012942 | 0.64 | EPHX2 (0.37) | ALDH1A1KDM4ETDP1EPHX2GAA | |
| SCHEMBL10402732 | 0.64 | NPC1 (0.49) | KDM4ELMNACYP3A4CYP2C19GAA | |
| SCHEMBL28146060 | 0.62 | GAA (0.55) | ALDH1A1KDM4ECYP3A4CYP2C19POLB |
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 4 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 | claimed |
| 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 | claimed |
| 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 |