Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGK1 | P00558 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | TTBK1 | Q5TCY1 | 7/20 | 0.38 |
| ▸ | TTBK2 | Q6IQ55 | 4/20 | 0.38 |
| ▸ | MAP3K14 | Q99558 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.31 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.30 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL1204465 | 0.86 | KMT2A (0.43) | PGK1KMT2AHTTTTBK1MAP3K14 | |
| SCHEMBL21963753 | 0.79 | HSD17B10 (0.43) | KMT2AHTTHSD17B10KDM4ENPC1 | |
| SCHEMBL2040558 | 0.74 | KMT2A (0.50) | KMT2AHTTHSD17B10KDM4ENPC1 | |
| SCHEMBL2637090 | 0.71 | KMT2A (0.47) | KMT2AHTTNPC1MEN1DYRK1A | |
| SCHEMBL17203284 | 0.71 | KMT2A (0.43) | KMT2AHTTHSD17B10KDM4ENPC1 | |
| SCHEMBL17203338 | 0.71 | KMT2A (0.43) | PGK1KMT2AHTTNPC1MEN1 | |
| SCHEMBL18430532 | 0.70 | KMT2A (0.46) | KMT2AHTTHSD17B10KDM4ENPC1 | |
| SCHEMBL1565246 | 0.70 | HTT (0.39) | KMT2AHTTHSD17B10KDM4ENPC1 | |
| SCHEMBL18741016 | 0.69 | TDP1 (0.41) | KMT2AHTTNPC1MEN1 | |
| SCHEMBL1203529 | 0.68 | CSF1R (0.39) | PGK1TTBK1MAP3K14IDO1 |
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-2462116-A2 | PROCESS FOR THE MANUFACTURE OF PHARMACEUTICALLY ACTIVE COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2012-06-13 | — | — | EP | disclosed |
| WO-2011015522-A2 | PROCESS FOR THE MANUFACTURE OF PHARMACEUTICALLY ACTIVE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-02-10 | — | — | WO | disclosed |