Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.42 |
| ▸ | SETD2 | Q9BYW2 | 5/20 | 0.40 |
| ▸ | NSD2 | O96028 | 1/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | HTR1B | P28222 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.37 |
| ▸ | BTK | Q06187 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16612295 | 1.00 | KDM4E (0.44) | KDM4EALDH1A1POLBHSD17B10SIGMAR1 | |
| SCHEMBL3240259 | 1.00 | KDM4E (0.44) | KDM4EALDH1A1POLBHSD17B10SIGMAR1 | |
| SCHEMBL12474151 | 1.00 | KDM4E (0.44) | KDM4EALDH1A1POLBHSD17B10SIGMAR1 | |
| SCHEMBL15088882 | 0.89 | POLB (0.50) | POLBHSD17B10SIGMAR1SETD2NSD2 | |
| SCHEMBL13943655 | 0.89 | POLB (0.50) | POLBHSD17B10SIGMAR1SETD2NSD2 | |
| SCHEMBL15088879 | 0.89 | POLB (0.50) | POLBHSD17B10SIGMAR1SETD2NSD2 | |
| SCHEMBL13497280 | 0.81 | BTK (0.58) | POLBHSD17B10SIGMAR1DRD2KMT2A | |
| SCHEMBL10009252 | 0.81 | BTK (0.58) | POLBHSD17B10SIGMAR1DRD2KMT2A | |
| SCHEMBL13497278 | 0.81 | BTK (0.58) | POLBHSD17B10SIGMAR1DRD2KMT2A | |
| SCHEMBL13942857 | 0.81 | BTK (0.58) | POLBHSD17B10SIGMAR1DRD2KMT2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2857388-A1 | Azoles containing sulfone | Grünenthal GmbH (DE) | 2015-04-08 | — | — | EP | disclosed |
| US-8680159-B2 | Bradykinin 1 receptor modulating compounds | GRUENENTHAL GMBH (DE) | 2014-03-25 | — | — | US | disclosed |
| EP-2619178-A1 | SUBSTITUTED BENZAMIDE COMPOUNDS | Grünenthal GmbH (DE) | 2013-07-31 | — | — | EP | disclosed |
| EP-2611810-A1 | SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE DERIVATIVES | Grünenthal GmbH (DE) | 2013-07-10 | — | — | EP | disclosed |
| WO-2012038081-A1 | SUBSTITUTED BENZAMIDE COMPOUNDS | Grünenthal GmbH (DE) | 2012-03-29 | — | — | WO | disclosed |
| WO-2012028331-A1 | SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE DERIVATIVES | Grünenthal GmbH (DE) | 2012-03-08 | — | — | WO | disclosed |