Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | SSTR3 | P32745 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CCR3 | P51677 | 1/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.36 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.35 |
| ▸ | TAOK3 | Q9H2K8 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL5012907 | 0.88 | TSHR (0.46) | TSHRSMN1; SMN2ALDH1A1LMNAHTT | |
| SCHEMBL4259750 | 0.76 | TSHR (0.40) | TSHRSSTR3SMN1; SMN2TRPV1ALDH1A1 | |
| SCHEMBL1086552 | 0.70 | HRH3 (0.46) | SMN1; SMN2TRPV1LMNAHTTCCR3 | |
| SCHEMBL5011684 | 0.69 | LMNA (0.47) | SMN1; SMN2TRPV1ALDH1A1LMNAHTT | |
| SCHEMBL5012881 | 0.67 | KDM4E (0.37) | ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL2867648 | 0.65 | ERCC1 (0.71) | TSHRSSTR3SMN1; SMN2TRPV1ALDH1A1 | |
| SCHEMBL29194232 | 0.65 | TSHR (0.61) | TSHRSMN1; SMN2ALDH1A1MEN1KMT2A | |
| SCHEMBL4271658 | 0.64 | TSHR (0.39) | TSHRSMN1; SMN2ALDH1A1TAOK1TAOK3 | |
| SCHEMBL4272713 | 0.63 | TSHR (0.45) | TSHRSMN1; SMN2ALDH1A1ESR1NR3C1 | |
| SCHEMBL3282688 | 0.63 | TSHR (0.68) | TSHRSMN1; SMN2TRPV1ALDH1A1LMNA |
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 |