Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | XDH | P47989 | 1/20 | 0.36 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | PRKCI | P41743 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 2/20 | 0.33 |
| ▸ | NNMT | P40261 | 2/20 | 0.33 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | IKBKB | O14920 | 1/20 | 0.32 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | ACACB | O00763 | 1/20 | 0.31 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11951408 | 0.89 | PRKCI (0.40) | MKNK2PRKCIMAPTTSHRGSK3B | |
| SCHEMBL670579 | 0.85 | ALDH1A1 (0.40) | KDM4EALDH1A1GAAMAPTTSHR | |
| SCHEMBL1726279 | 0.79 | PTGES (0.49) | KDM4EALDH1A1GAAMAPTHTT | |
| SCHEMBL11951461 | 0.78 | TAS1R3 (0.42) | ALDH1A1CNR2 | |
| SCHEMBL10170839 | 0.76 | FADS1 (0.51) | KDM4EMAPTTSHRHTT | |
| SCHEMBL1725449 | 0.76 | PTGES (0.47) | ALDH1A1LRRK2CNR2 | |
| SCHEMBL1725448 | 0.76 | PTGES (0.47) | ALDH1A1LRRK2CNR2 | |
| SCHEMBL27964720 | 0.74 | HTR2A (0.34) | ALDH1A1MKNK2LRRK2HTTLMNA | |
| SCHEMBL27147584 | 0.74 | KDM4E (0.49) | KDM4EALDH1A1GLAGAAMAPT | |
| SCHEMBL672665 | 0.74 | PTGER4 (0.37) | CNR2 |
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-2606036-A1 | NEW COMPOUNDS | Boehringer Ingelheim International GmbH (DE) | 2013-06-26 | — | — | EP | disclosed |
| CN-103097359-A | Novel compounds | BOEHRINGER INGELHEIM INT | 2013-05-08 | — | — | CN | disclosed |
| WO-2012022793-A1 | NEW COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-02-23 | — | — | WO | disclosed |
| WO-2010100249-A1 | 3H-IMIDAZO [4, 5 -C] PYRIDINE- 6 -CARBOXAMIDES AS ANTI- INFLAMMATORY AGENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-09-10 | — | — | WO | disclosed |