Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 15/20 | 0.56 |
| ▸ | GAK | O14976 | 3/20 | 0.55 |
| ▸ | FBP1 | P09467 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | HDAC3 | O15379 | 7/20 | 0.51 |
| ▸ | HDAC4 | P56524 | 7/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 7/20 | 0.51 |
| ▸ | HDAC7 | Q8WUI4 | 7/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 7/20 | 0.51 |
| ▸ | HDAC10 | Q969S8 | 7/20 | 0.51 |
| ▸ | HDAC11 | Q96DB2 | 7/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 7/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 7/20 | 0.51 |
| ▸ | HDAC9 | Q9UKV0 | 7/20 | 0.51 |
| ▸ | HDAC5 | Q9UQL6 | 7/20 | 0.51 |
| ▸ | ERBB2 | P04626 | 7/20 | 0.50 |
| ▸ | RIPK2 | O43353 | 2/20 | 0.49 |
| ▸ | BUB1 | O43683 | 2/20 | 0.49 |
| ▸ | STK10 | O94804 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL13514680 | 0.75 | EGFR (0.66) | EGFRGAKFBP1ALDH1A1MAPT | |
| SCHEMBL13514684 | 0.74 | EGFR (0.64) | EGFRGAKFBP1ALDH1A1MAPT | |
| SCHEMBL13514688 | 0.74 | EGFR (0.67) | EGFRGAKFBP1ALDH1A1MAPT | |
| Theliatinib SCHEMBL29370993 | 0.73 | EGFR (0.62) | EGFRGAKFBP1ALDH1A1MAPT | |
| Theliatinib SCHEMBL247509 | 0.73 | EGFR (0.62) | EGFRGAKFBP1ALDH1A1MAPT | |
| SCHEMBL667895 | 0.73 | EGFR (1.00) | EGFRGAKFBP1ALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL1507455 | 0.72 | EGFR (0.98) | EGFRGAKFBP1ALDH1A1MAPT | |
| SCHEMBL14489912 | 0.72 | EGFR (0.72) | EGFRGAKFBP1ALDH1A1MAPT | |
| SCHEMBL29623598 | 0.72 | EGFR (0.69) | EGFRGAKFBP1ALDH1A1MAPT | |
| SCHEMBL185131 | 0.72 | EGFR (0.69) | EGFRGAKFBP1ALDH1A1MAPT |
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-2590966-A1 | QUINAZOLINE COMPOUNDS | Hutchison Medipharma Limited (CN) | 2013-05-15 | — | — | EP | disclosed |
| WO-2012000356-A1 | QUINAZOLINE COMPOUNDS | HUTCHISON MEDIPHARMA LIMITED (CN) | 2012-01-05 | — | — | WO | disclosed |