Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ASAH1 | Q13510 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 6/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.33 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
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 | 0.81 | ALDH1A1 (0.45) | ALDH1A1NPC1RAB9AASAH1AAK1 | |
| SCHEMBL862090 | 0.79 | PIK3R1 (0.37) | ALDH1A1AAK1 | |
| SCHEMBL3763758 | 0.77 | ALDH1A1 (0.39) | ALDH1A1NPC1RAB9AASAH1HPGD | |
| SCHEMBL861097 | 0.74 | ALDH1A1 (0.38) | ALDH1A1NPC1RAB9AASAH1BRD4 | |
| SCHEMBL859022 | 0.73 | ALDH1A1 (0.39) | ALDH1A1NPC1RAB9AASAH1BRD4 | |
| SCHEMBL855641 | 0.73 | ALDH1A1 (0.37) | ALDH1A1NPC1RAB9AASAH1HPGD | |
| SCHEMBL861881 | 0.69 | ALDH1A1 (0.43) | ALDH1A1NPC1RAB9AP2RX4 | |
| SCHEMBL16806047 | 0.68 | KDM4E (0.51) | ALDH1A1NPC1RAB9AHPGD | |
| SCHEMBL856268 | 0.65 | ALDH1A1 (0.39) | ALDH1A1NPC1RAB9AASAH1BRD4 | |
| SCHEMBL858086 | 0.65 | MCL1 (0.42) | ALDH1A1NPC1RAB9AHPGDP2RX4 |
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 |