Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | PRKDC | P78527 | 1/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.33 |
| ▸ | OGA | O60502 | 4/20 | 0.32 |
| ▸ | WDR5 | P61964 | 4/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | BCL6 | P41182 | 1/20 | 0.31 |
| ▸ | MTOR | P42345 | 2/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | GAK | O14976 | 1/20 | 0.30 |
| ▸ | PIK3CA | P42336 | 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 | |
|---|---|---|---|---|
| SCHEMBL113579 | 1.00 | SMN1; SMN2 (0.33) | SMN1; SMN2PRKDCAOC3OGAWDR5 | |
| SCHEMBL113717 | 0.87 | CNR2 (0.39) | SMN1; SMN2AOC3MEN1KMT2AALDH1A1 | |
| SCHEMBL113706 | 0.87 | PTGS2 (0.33) | SMN1; SMN2OGAKDM4EMEN1KMT2A | |
| SCHEMBL114800 | 0.85 | DHFR (0.35) | ALDH1A1 | |
| SCHEMBL113266 | 0.83 | DHFR (0.35) | MEN1KMT2AALDH1A1KCNH2LMNA | |
| SCHEMBL112867 | 0.82 | DHFR (0.41) | ALDH1A1KCNH2LMNA | |
| SCHEMBL113518 | 0.81 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL115569 | 0.80 | HTR1A (0.38) | OGAKCNH2PIK3CA | |
| SCHEMBL113904 | 0.79 | AOC3 (0.38) | AOC3KCNH2 | |
| SCHEMBL15911410 | 0.78 | SMO (0.35) | AOC3WDR5KCNH2 |
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-2424840-A1 | CXCR3 RECEPTOR ANTAGONISTS | Boehringer Ingelheim International GmbH (DE) | 2012-03-07 | — | — | EP | disclosed |
| WO-2010126811-A1 | CXCR3 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-11-04 | — | — | WO | disclosed |