Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | QDPR | P09417 | 2/20 | 0.63 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.58 |
| ▸ | DRD2 | P14416 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | DRD3 | P35462 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | FAAH | O00519 | 1/20 | 0.51 |
| ▸ | BACE1 | P56817 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.48 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL20805979 | 0.91 | ALDH1A1 (0.61) | QDPRHSD11B1DRD2ALDH1A1LMNA | |
| SCHEMBL2636579 | 0.87 | HSD11B1 (0.61) | QDPRHSD11B1DRD2ALDH1A1LMNA | |
| SCHEMBL7284775 | 0.86 | QDPR (0.57) | QDPRHSD11B1ALDH1A1LMNAMAPT | |
| SCHEMBL14412855 | 0.86 | HSD11B1 (0.56) | QDPRHSD11B1DRD2ALDH1A1LMNA | |
| SCHEMBL23397304 | 0.83 | ALDH1A1 (0.51) | HSD11B1ALDH1A1LMNARAB9ADRD3 | |
| SCHEMBL21051331 | 0.83 | ALDH1A1 (0.66) | HSD11B1ALDH1A1LMNARAB9AMAPT | |
| SCHEMBL14590572 | 0.82 | QDPR (0.61) | QDPRHSD11B1DRD2ALDH1A1LMNA | |
| SCHEMBL25174711 | 0.82 | HSD11B1 (0.70) | HSD11B1DRD2ALDH1A1LMNARAB9A | |
| SCHEMBL19066022 | 0.82 | ALDH1A1 (0.55) | QDPRHSD11B1DRD2ALDH1A1LMNA | |
| SCHEMBL7277302 | 0.81 | QDPR (0.69) | QDPRALDH1A1POLBKDM4ECYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018054549-A1 | 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL | Grünenthal GmbH (DE) | 2018-03-29 | — | — | WO | disclosed |
| EP-1592426-B1 | 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF | NOVARTIS AG (CH) | 2007-12-19 | — | — | EP | disclosed |
| WO-2004069256-A1 | 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF | NOVARTIS AG (CH) | 2004-08-19 | — | — | WO | disclosed |