Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 4/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | BRAF | P15056 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL623575 | 0.88 | PIK3CA (0.53) | PIK3CAL3MBTL1NPC1RAB9ATDP1 | |
| SCHEMBL622984 | 0.82 | PIK3CA (0.43) | PIK3CAL3MBTL1EGFRKDM4EMEN1 | |
| SCHEMBL3402838 | 0.81 | PIK3CA (0.58) | PIK3CAL3MBTL1KDM4EMEN1KMT2A | |
| SCHEMBL622461 | 0.80 | PIK3CA (0.42) | PIK3CAL3MBTL1EGFRKDM4EMEN1 | |
| SCHEMBL624258 | 0.77 | PIK3CA (0.43) | PIK3CAL3MBTL1EGFRKDM4EMEN1 | |
| SCHEMBL1550834 | 0.75 | PIK3CA (0.55) | PIK3CANPC1RAB9AKDM4EMEN1 | |
| SCHEMBL626440 | 0.75 | PIK3CA (0.43) | PIK3CAL3MBTL1EGFRKDM4EMEN1 | |
| SCHEMBL623941 | 0.74 | ALDH1A1 (0.43) | PIK3CAL3MBTL1KDM4EMEN1KMT2A | |
| SCHEMBL10006034 | 0.74 | PIK3CA (0.42) | PIK3CAL3MBTL1EGFRKDM4EMEN1 | |
| SCHEMBL622983 | 0.74 | PIK3CA (0.43) | PIK3CAL3MBTL1EGFRKDM4EMEN1 |
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-2603214-A1 | HETEROARYLS AND USES THEREOF | Millennium Pharmaceuticals, Inc. (US) | 2013-06-19 | — | — | EP | disclosed |
| WO-2012021696-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2012-02-16 | — | — | WO | disclosed |