Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 8/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TTR | P02766 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17988537 | 0.90 | HCAR2 (0.34) | HCAR2ATM | |
| SCHEMBL17988536 | 0.88 | HCAR2 (0.47) | HCAR2CA12CA1CA7CA9 | |
| SCHEMBL17988566 | 0.87 | HCAR2 (0.39) | HCAR2MAPTCA12CA1CA2 | |
| SCHEMBL17988529 | 0.86 | TSHR (0.37) | HCAR2LMNAALDH1A1HPGD | |
| SCHEMBL17988534 | 0.86 | HCAR2 (0.32) | HCAR2LMNAHTT | |
| SCHEMBL17988532 | 0.86 | HCAR2 (0.35) | HCAR2CA12CA1CA2CA7 | |
| SCHEMBL17988549 | 0.85 | HCAR2 (0.32) | HCAR2 | |
| SCHEMBL17988531 | 0.83 | HCAR2 (0.42) | HCAR2MAPTLMNAALOX5PKM | |
| SCHEMBL18133605 | 0.82 | ATM (0.36) | HCAR2MAPTATMALOX5 | |
| SCHEMBL17988533 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9409872-B1 | Fumarate compounds, pharmaceutical compositions thereof, and methods of use | Nguyen, Mark Quang (US) | 2016-08-09 | — | — | US | disclosed |