Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.51 |
| ▸ | CA2 | P00918 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | GRM5 | P41594 | 1/20 | 0.50 |
| ▸ | ALOX15B | O15296 | 1/20 | 0.50 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | TNKS | O95271 | 3/20 | 0.44 |
| ▸ | PARP1 | P09874 | 2/20 | 0.44 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL12049758 | 0.87 | GRM5 (0.54) | CA1CA2ALDH1A1NPC1RAB9A | |
| SCHEMBL16989766 | 0.82 | CA1 (0.57) | CA1CA2ALDH1A1NPC1RAB9A | |
| SCHEMBL16989767 | 0.82 | CA1 (0.57) | CA1CA2ALDH1A1NPC1RAB9A | |
| SCHEMBL12026462 | 0.82 | HTR4 (0.54) | CA1CA2ALDH1A1NPC1RAB9A | |
| SCHEMBL14637530 | 0.81 | MAPT (0.55) | CA1CA2ALDH1A1NPC1RAB9A | |
| SCHEMBL2247489 | 0.79 | NPC1 (0.53) | CA1CA2ALDH1A1NPC1RAB9A | |
| SCHEMBL14637620 | 0.78 | TNKS (0.54) | CA1CA2ALDH1A1NPC1RAB9A | |
| SCHEMBL16825830 | 0.77 | GRM5 (0.44) | CA1CA2ALDH1A1NPC1RAB9A | |
| SCHEMBL27968848 | 0.76 | MAPT (0.50) | CA1CA2ALDH1A1GRM5ALOX15B | |
| SCHEMBL21939281 | 0.75 | LRRK2 (0.57) | CA1CA2ALDH1A1NPC1RAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2788086-B1 | SUBSTITUTED PYRAZOLES AS MGLU5 RECEPTOR MODULATORS | BOEHRINGER INGELHEIM INT (DE) | 2016-10-12 | — | — | EP | disclosed |