Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | FABP4 | P15090 | 1/20 | 0.41 |
| ▸ | ACACB | O00763 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.36 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.35 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.35 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.35 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL862091 | 0.81 | ALDH1A1 (0.39) | ALDH1A1NPC1RAB9AP2RX4ASAH1 | |
| SCHEMBL858086 | 0.81 | MCL1 (0.42) | ALDH1A1NPC1RAB9AFABP4ACACB | |
| SCHEMBL861097 | 0.80 | ALDH1A1 (0.38) | ALDH1A1NPC1RAB9AMAPTKMT2A | |
| SCHEMBL855641 | 0.79 | ALDH1A1 (0.37) | ALDH1A1NPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL30847402 | 0.78 | USP30 (0.39) | ALDH1A1NPC1RAB9AFABP4MAPT | |
| SCHEMBL12158 | 0.78 | USP30 (0.39) | ALDH1A1NPC1RAB9AFABP4MAPT | |
| SCHEMBL482029 | 0.77 | MAPT (0.46) | ALDH1A1NPC1FABP4MAPTGAA | |
| SCHEMBL859022 | 0.77 | ALDH1A1 (0.39) | ALDH1A1NPC1RAB9AMAPTGAA | |
| SCHEMBL2034906 | 0.76 | SIK1 (0.42) | ALDH1A1NPC1RAB9AACACBMAPT | |
| SCHEMBL14247485 | 0.76 | ALDH1A1 (0.39) | ALDH1A1NPC1RAB9AFABP4ACACB |
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-2643315-A1 | BENZOXAZEPINES AS INHIBITORS OF P13K/mTOR AND METHODS OF THEIR USE AND MANUFACTURE | Exelixis, Inc. (US) | 2013-10-02 | — | — | EP | disclosed |
| WO-2012071501-A1 | BENZOXAZEPINES ASN INHIBITORS OF P13K/M TOR AND METHODS OF THEIR USE AND MANUFACTURE | EXELIXIS, INC. (US) | 2012-05-31 | — | — | WO | disclosed |