Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 6/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | MAOB | P27338 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.50 |
| ▸ | RELA | Q04206 | 1/20 | 0.50 |
| ▸ | XDH | P47989 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | ATM | Q13315 | 2/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.49 |
| ▸ | ERN1 | O75460 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL2550458 | 0.83 | MAPT (0.55) | MAPTNPSR1MAOBMEN1KMT2A | |
| SCHEMBL14935499 | 0.82 | MAPT (0.69) | MAPTNPSR1MAOBMEN1KMT2A | |
| SCHEMBL114440 | 0.82 | MAPT (0.58) | MAPTNPSR1MAOBMEN1KMT2A | |
| SCHEMBL11049170 | 0.82 | MAPT (0.69) | MAPTNPSR1MAOBMEN1KMT2A | |
| SCHEMBL9978289 | 0.82 | MAPT (0.69) | MAPTNPSR1MAOBMEN1KMT2A | |
| SCHEMBL1531429 | 0.81 | MAPT (0.62) | MAPTMAOBMEN1KMT2ACA12 | |
| SCHEMBL1531427 | 0.81 | MAPT (0.62) | MAPTMAOBMEN1KMT2ACA12 | |
| 2-Nitrobenzaldehyde SCHEMBL29672618 | 0.80 | ERN1 (0.66) | MAPTNPSR1MAOBMEN1KMT2A | |
| SCHEMBL11299049 | 0.80 | MAPT (0.67) | MAPTNPSR1MAOBMEN1KMT2A | |
| 2-Nitrobenzaldehyde SCHEMBL5654 | 0.80 | ERN1 (0.66) | MAPTNPSR1MAOBMEN1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109071411-A | The method for manufacturing nitrobenzene compound | 组合化学工业株式会社 | 2018-12-21 | — | — | CN | disclosed |
| CN-105189447-A | Method for manufacturing nitrobenzene compound | IHARA CHEMICAL IND CO | 2015-12-23 | — | — | CN | disclosed |
| CN-102574814-B | The preparation method of pyrimidyl acetonitrile derivative and synthetic intermediate thereof | IHARA CHEMICAL INDUSTRY CO.,LTD. (JP) | 2015-09-16 | — | — | CN | disclosed |