Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 6/20 | 0.53 |
| ▸ | TNNI3K | Q59H18 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2778932 | 0.92 | EGFR (0.53) | EGFRTNNI3KMEN1KMT2ANPC1 | |
| SCHEMBL413659 | 0.88 | TNNI3K (0.54) | EGFRTNNI3KMEN1KMT2ANPC1 | |
| SCHEMBL4235274 | 0.85 | THRB (0.57) | EGFRTNNI3KMEN1KMT2AKDM4E | |
| SCHEMBL4234991 | 0.83 | THRB (0.54) | EGFRTNNI3KMEN1KMT2AKDM4E | |
| SCHEMBL11317380 | 0.77 | MEN1 (0.55) | EGFRTNNI3KMEN1KMT2ANPC1 | |
| SCHEMBL691596 | 0.77 | MEN1 (0.67) | EGFRTNNI3KMEN1KMT2ANPC1 | |
| SCHEMBL690595 | 0.77 | EGFR (0.55) | EGFRTNNI3KLMNAMAPTCYP1A2 | |
| SCHEMBL21109107 | 0.73 | EGFR (0.43) | EGFRMEN1KMT2ARAB9ALMNA | |
| SCHEMBL690944 | 0.72 | EGFR (0.61) | EGFRTNNI3K | |
| SCHEMBL17260963 | 0.72 | KDR (0.51) | CYP2D6CYP3A4CYP2C19CYP2C9 |
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-2421538-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | Avila Therapeutics, Inc. (US) | 2012-02-29 | — | — | EP | disclosed |
| WO-2010123870-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | AVILA THERAPEUTICS, INC. (US) | 2010-10-28 | — | — | WO | disclosed |