Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.37 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.34 |
| ▸ | SSTR4 | P31391 | 2/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3797512 | 0.82 | S1PR1 (0.45) | NPSR1HDAC6HDAC3HDAC1HDAC2 | |
| SCHEMBL856488 | 0.82 | PIK3CA (0.50) | TDP1HDAC6HDAC3HDAC1HDAC2 | |
| Hydrochloric Acid SCHEMBL856398 | 0.81 | PIK3CA (0.49) | TDP1HDAC6HDAC3HDAC1HDAC2 | |
| Bromide SCHEMBL2727893 | 0.81 | PIK3CA (0.49) | TDP1HDAC6HDAC3HDAC1HDAC2 | |
| Hydrochloric Acid SCHEMBL2726709 | 0.78 | HDAC6 (0.43) | HDAC6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL3791990 | 0.77 | PIK3CA (0.46) | TDP1NPSR1HDAC6HDAC3HDAC1 | |
| Trifluoroacetic Acid SCHEMBL2727792 | 0.74 | PIK3CA (0.46) | HDAC6HDAC3HDAC1HDAC2HDAC8 | |
| Trifluoroacetic Acid SCHEMBL6126953 | 0.72 | PIK3CA (0.44) | HDAC6HDAC3HDAC1HDAC2HDAC8 | |
| Hydrochloric Acid SCHEMBL15515111 | 0.72 | S1PR1 (0.42) | HDAC6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL22993338 | 0.70 | ACHE (0.42) | S1PR1S1PR3PIK3CACD274 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010118208-A1 | BENZOXAZEPIN-4- (5H) -YL DERIVATIVES AND THEIR USE TO TREAT CANCER | EXELIXIS, INC. (US) | 2010-10-14 | — | — | WO | disclosed |