Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 11/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.36 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | PIK3R1 | P27986 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL624265 | 0.88 | PIK3CA (0.43) | PIK3CANPC1RAB9ATDP1MAPT | |
| SCHEMBL623337 | 0.81 | PIK3CA (0.58) | PIK3CAGRIA2GRIA4MTORMAPT | |
| SCHEMBL622870 | 0.80 | PIK3CA (0.54) | PIK3CAGRIA2GRIA4MTORMAPT | |
| SCHEMBL3403807 | 0.77 | PIK3CA (0.78) | PIK3CANPC1RAB9AGRIA2GRIA4 | |
| SCHEMBL623171 | 0.77 | PIK3CA (0.51) | PIK3CAGRIA2GRIA4MTORMAPT | |
| SCHEMBL622915 | 0.75 | PIK3CA (0.54) | PIK3CAGRIA2GRIA4MTORKDM4E | |
| SCHEMBL10298721 | 0.74 | PIK3CA (0.61) | PIK3CAGRIA2GRIA4MTORKDM4E | |
| SCHEMBL10006010 | 0.74 | PIK3CA (0.51) | PIK3CANPC1RAB9ATDP1GRIA2 | |
| SCHEMBL622051 | 0.73 | PIK3CA (0.55) | PIK3CANPC1RAB9ATDP1GRIA2 | |
| SCHEMBL10288545 | 0.73 | PIK3CA (0.55) | PIK3CAGRIA2GRIA4MTORMAPT |
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 |