Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5015752 | 0.80 | LMNA (0.43) | ALDH1A1GAAMEN1KMT2AMAPT | |
| SCHEMBL5012256 | 0.77 | TP53 (0.46) | ALDH1A1MEN1KMT2AMAPTTSHR | |
| SCHEMBL5012818 | 0.75 | MAPT (0.49) | ALDH1A1GAAMAPTCYP3A4CYP2C19 | |
| SCHEMBL16175757 | 0.75 | ALDH1A1 (0.53) | ALDH1A1GAAMEN1KMT2AMAPT | |
| SCHEMBL5011245 | 0.70 | KMT2A (0.48) | ALDH1A1GAAMEN1KMT2AMAPT | |
| SCHEMBL5012257 | 0.70 | TSHR (0.53) | ALDH1A1GAAKMT2ATSHRCYP3A4 | |
| SCHEMBL5117500 | 0.69 | ALDH1A1 (0.55) | ALDH1A1GAAKMT2AMAPTTSHR | |
| SCHEMBL16175620 | 0.67 | KMT2A (0.47) | ALDH1A1GAAMEN1KMT2ATSHR | |
| SCHEMBL5131413 | 0.64 | PKM (0.50) | ALDH1A1GAAMEN1KMT2AMAPT | |
| SCHEMBL16495431 | 0.64 | HPGDS (0.61) | MEN1KMT2AMAPTCYP3A4CYP2D6 |
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-1888596-A1 | SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS | Grünenthal GmbH (DE) | 2008-02-20 | — | — | EP | claimed |
| WO-2006122770-A1 | SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS | Grünenthal GmbH (DE) | 2006-11-23 | — | — | WO | claimed |