Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 5/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | STAT1 | P42224 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL4264555 | 0.76 | ATM (0.52) | ATMALDH1A1CYP3A4LMNAMAPT | |
| SCHEMBL5011879 | 0.76 | KMT2A (0.38) | ALDH1A1NPSR1LMNAMAPTSMN1; SMN2 | |
| SCHEMBL5011747 | 0.70 | KCNK3 (0.40) | ALDH1A1CYP1A2CYP3A4LMNAHPGD | |
| SCHEMBL5011835 | 0.70 | CYP1A2 (0.43) | ALDH1A1CYP1A2CYP3A4LMNAMAPT | |
| SCHEMBL5456725 | 0.62 | ALDH1A1 (0.83) | ALDH1A1CYP1A2CYP3A4LMNAMAPT | |
| SCHEMBL28879978 | 0.62 | ALDH1A1 (0.72) | ATMALDH1A1LMNAMAPTNPC1 | |
| SCHEMBL4102809 | 0.60 | KMT2A (0.73) | ALDH1A1CYP1A2NPSR1LMNAMAPT | |
| SCHEMBL1884508 | 0.60 | ALDH1A1 (0.73) | ATMALDH1A1CYP1A2LMNAMAPT | |
| SCHEMBL474709 | 0.59 | KMT2A (0.70) | ALDH1A1CYP1A2NPSR1LMNAMAPT | |
| SCHEMBL5340030 | 0.59 | MEN1 (0.89) | ALDH1A1MAPTNPC1RAB9ASMN1; 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 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 |