Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 7/20 | 0.44 |
| ▸ | CA2 | P00918 | 7/20 | 0.44 |
| ▸ | CA12 | O43570 | 4/20 | 0.44 |
| ▸ | CA9 | Q16790 | 4/20 | 0.44 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1880813 | 0.93 | TDP1 (0.64) | TDP1MEN1GAAKMT2AEPHX1 | |
| SCHEMBL3341020 | 0.85 | TDP1 (0.67) | TDP1MEN1GAAKMT2AEPHX1 | |
| SCHEMBL13767398 | 0.85 | TDP1 (0.53) | TDP1MEN1GAAKMT2AEPHX1 | |
| SCHEMBL21929485 | 0.84 | TDP1 (0.49) | TDP1MEN1GAAKMT2AEPHX1 | |
| SCHEMBL16800926 | 0.82 | TDP1 (0.55) | TDP1MEN1GAAKMT2AEPHX1 | |
| SCHEMBL9573730 | 0.82 | TDP1 (0.55) | TDP1MEN1GAAKMT2AEPHX1 | |
| SCHEMBL10077316 | 0.82 | TDP1 (0.58) | TDP1MEN1GAAKMT2AEPHX1 | |
| SCHEMBL24098123 | 0.81 | TDP1 (0.53) | TDP1MEN1GAAKMT2AEPHX1 | |
| SCHEMBL4648803 | 0.81 | TDP1 (0.53) | TDP1MEN1GAAKMT2AEPHX1 | |
| SCHEMBL12955176 | 0.81 | TDP1 (0.53) | TDP1MEN1GAAKMT2AEPHX1 |
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-2016020404-A1 | PROCESS FOR THE RESOLUTION OF (R,S)-DIAZEPANE AND DIAZEPANONE DERIVATIVES | SANDOZ AG (CH) | 2016-02-11 | — | — | WO | disclosed |