Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 5/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 4/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1387178 | 0.77 | CES1 (0.48) | CES1MEN1KMT2AMAPTCYP3A4 | |
| SCHEMBL2783040 | 0.75 | CES1 (0.47) | CES1MEN1KMT2AMAPTCYP3A4 | |
| SCHEMBL10764490 | 0.74 | CES1 (0.46) | GAACES1MEN1KMT2AMAPT | |
| SCHEMBL2486789 | 0.73 | CES1 (0.47) | CES1MEN1KMT2AMAPTCYP3A4 | |
| SCHEMBL543877 | 0.73 | CES1 (0.55) | GAACES1MEN1KMT2AMAPT | |
| SCHEMBL8688954 | 0.72 | TSHR (0.46) | CES1MEN1KMT2AMAPTCYP3A4 | |
| SCHEMBL9743657 | 0.72 | GSK3B (0.52) | GAACES1MEN1KMT2AMAPT | |
| SCHEMBL3240431 | 0.71 | GRIN1 (0.48) | CES1MEN1KMT2AMAPTCYP3A4 | |
| SCHEMBL12581637 | 0.71 | ALDH1A1 (0.39) | GAACES1MEN1KMT2AMAPT | |
| SCHEMBL3251129 | 0.71 | CES2 (0.50) | CES1SMN1; SMN2CES2ALDH1A1LMNA |
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-1866288-A1 | INDAZOLE SQUARIC ACID DERIVATIVES AS CHK1-, CHK2- AND SGK- INHIBITORS | Merck Patent GmbH (DE) | 2007-12-19 | — | — | EP | disclosed |
| WO-2006105865-A1 | INDAZOLE SQUARIC ACID DERIVATIVES AS CHK1-, CHK2- AND SGK- INHIBITORS | MERCK PATENT GMBH (DE) | 2006-10-12 | — | — | WO | disclosed |