Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ASAH1 | Q13510 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 2/20 | 0.32 |
| ▸ | RORC | P51449 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.32 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8539342 | 0.80 | ALDH1A1 (0.45) | ALDH1A1NPC1RAB9AASAH1P2RX4 | |
| SCHEMBL855641 | 0.79 | ALDH1A1 (0.37) | ALDH1A1NPC1RAB9AASAH1P2RX4 | |
| SCHEMBL855565 | 0.78 | LCK (0.37) | BRD4RORCLMNA | |
| SCHEMBL3763758 | 0.76 | ALDH1A1 (0.39) | ALDH1A1NPC1RAB9AASAH1P2RX4 | |
| SCHEMBL862091 | 0.74 | ALDH1A1 (0.39) | ALDH1A1NPC1RAB9AASAH1P2RX4 | |
| SCHEMBL859022 | 0.72 | ALDH1A1 (0.39) | ALDH1A1NPC1RAB9AASAH1P2RX4 | |
| SCHEMBL858086 | 0.68 | MCL1 (0.42) | ALDH1A1NPC1RAB9AP2RX4LMNA | |
| SCHEMBL6126475 | 0.68 | MET (0.40) | ALDH1A1NPC1RAB9AASAH1L3MBTL1 | |
| SCHEMBL30888966 | 0.68 | NQO2 (0.38) | EGFR | |
| SCHEMBL21522868 | 0.68 | NQO2 (0.38) | EGFR |
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-2432779-A1 | BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES | Exelixis, Inc. (US) | 2012-03-28 | — | — | EP | disclosed |
| WO-2010135524-A1 | BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES | EXELIXIS, INC. (US) | 2010-11-25 | — | — | WO | disclosed |