Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.40 |
| ▸ | IDH1 | O75874 | 6/20 | 0.33 |
| ▸ | XDH | P47989 | 2/20 | 0.32 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.32 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1710219 | 0.90 | MBOAT4 (0.37) | MBOAT4IDH1XDHKDM4CNPC1 | |
| SCHEMBL1710182 | 0.75 | NPC1 (0.38) | KDM4CP2RX3NPC1RAB9A | |
| SCHEMBL1710325 | 0.75 | — | — | |
| SCHEMBL1710252 | 0.73 | KDM4C (0.39) | KDM4CP2RX3NPC1RAB9A | |
| SCHEMBL1710329 | 0.73 | KDM4E (0.32) | KDM4EALDH1A1 | |
| SCHEMBL1562973 | 0.69 | KDM4C (0.35) | KDM4CP2RX3NPC1RAB9A | |
| SCHEMBL1710342 | 0.69 | NPC1 (0.33) | KDM4CNPC1RAB9A | |
| SCHEMBL1710449 | 0.68 | MBOAT4 (0.40) | MBOAT4IDH1XDHKDM4EALDH1A1 | |
| SCHEMBL1710177 | 0.68 | P2RX3 (0.34) | KDM4CP2RX3KDM4EALDH1A1LMNA | |
| SCHEMBL2946065 | 0.67 | BDKRB2 (0.59) | — |
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-2344477-A1 | SMALL MOLECULE BRADYKININ B2 RECEPTOR MODULATORS | Jerini AG (DE) | 2011-07-20 | — | — | EP | disclosed |
| WO-2010031589-A1 | SMALL MOLECULE BRADYKININ B2 RECEPTOR MODULATORS | JERINI AG (DE) | 2010-03-25 | — | — | WO | disclosed |