Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.49 |
| ▸ | XDH | P47989 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | ERN1 | O75460 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 6/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.45 |
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29410319 | 0.83 | SOS1 (0.56) | MAPTCA12SOS1XDHNPSR1 | |
| SCHEMBL125015 | 0.83 | SOS1 (0.56) | MAPTCA12SOS1XDHNPSR1 | |
| SCHEMBL2411246 | 0.81 | SOS1 (0.63) | MAPTCA12SOS1NPSR1MAOB | |
| SCHEMBL2411248 | 0.81 | SOS1 (0.63) | MAPTCA12SOS1NPSR1MAOB | |
| SCHEMBL27974918 | 0.79 | TDP1 (0.52) | MAPTCA12SOS1XDHNPSR1 | |
| SCHEMBL9978289 | 0.79 | MAPT (0.69) | MAPTCA12SOS1NPSR1MAOB | |
| SCHEMBL14935499 | 0.79 | MAPT (0.69) | MAPTCA12SOS1NPSR1MAOB | |
| SCHEMBL114440 | 0.79 | MAPT (0.58) | MAPTCA12SOS1XDHNPSR1 | |
| SCHEMBL11049170 | 0.79 | MAPT (0.69) | MAPTCA12SOS1NPSR1MAOB | |
| SCHEMBL3846864 | 0.78 | SOS1 (0.65) | MAPTSOS1NPSR1MAOBMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0078709-A2 | Preparation of nitroaralkyl cyanides and derivatives thereof | ETHYL CORPORATION (US) | 1983-05-11 | — | — | EP | disclosed |