Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.35 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL31167379 | 1.00 | CYP1A2 (0.40) | CYP1A2ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL13328412 | 0.83 | CYP1A2 (0.40) | CYP1A2ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7524966 | 0.81 | CYP1A2 (0.38) | CYP1A2ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL31413507 | 0.81 | CYP1A2 (0.38) | CYP1A2ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL11335649 | 0.78 | CYP1A2 (0.45) | CYP1A2ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL11334330 | 0.77 | CYP1A2 (0.44) | CYP1A2ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL11324222 | 0.76 | ALDH1A1 (0.51) | CYP1A2ALDH1A1CYP3A4GRIN2DGRIN3B | |
| SCHEMBL11317064 | 0.75 | TDP1 (0.55) | CYP1A2ALDH1A1CYP3A4L3MBTL1GRIN2D | |
| SCHEMBL11524762 | 0.75 | CYP1A2 (0.37) | CYP1A2ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL11320225 | 0.74 | TDP1 (0.43) | CYP1A2ALDH1A1CYP3A4L3MBTL1GRIN2D |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4391992-A | N-Denitration of N,2,6-trinitroanilines with phase transfer catalysts | AMERICAN CYANAMID COMPANY (US) | 1983-07-05 | — | — | US | claimed |
| EP-0024503-B1 | N-DENITRATION OF N,2,6-TRINITROANILINES WITH PHASE TRANSFER CATALYSTS | AMERICAN CYANAMID COMPANY (US) | 1983-06-15 | — | — | EP | claimed |
| EP-0049384-A1 | N-denitration of N,2,6-trinitroanilines with phase transfer catalysts | AMERICAN CYANAMID COMPANY (US) | 1982-04-14 | — | — | EP | claimed |
| EP-0024503-A1 | N-denitration of N,2,6-trinitroanilines with phase transfer catalysts | AMERICAN CYANAMID COMPANY (US) | 1981-03-11 | — | — | EP | claimed |
| EP-0847984-B1 | A continuous process for the dinitration of aromatic substrates | FINCHIMICA SRL (IT) | 2002-03-13 | — | — | EP | disclosed |
| US-5981795-A | PURIFYING DINITROANILINE HAVING HERBICIDAL ACTIVITY BY N-DENITRATION OF THE N-NITRO-DINITROANILINE IMPURITIES CONTAINED THEREIN IN THE PRESENCE OF A BASE SELECTED FROM ALKALI-METAL HYDROXIDES, ALKALI-METAL CARBONATES | FINCHIMICA S.P.A. (IT) | 1999-11-09 | — | — | US | disclosed |
| US-5907062-A | Continuous process for the dinitration of aromatic substrates | FINCHIMICA S.P.A. (IT) | 1999-05-25 | — | — | US | disclosed |
| EP-0847984-A1 | A continuous process for the dinitration of aromatic substrates | FINCHIMICA S.p.A. (IT) | 1998-06-17 | — | — | EP | disclosed |
| EP-0049384-B1 | N-DENITRATION OF N,2,6-TRINITROANILINES WITH PHASE TRANSFER CATALYSTS | AMERICAN CYANAMID COMPANY (US) | 1985-03-20 | — | — | EP | disclosed |
| US-4391992-A | N-Denitration of N,2,6-trinitroanilines with phase transfer catalysts | AMERICAN CYANAMID COMPANY (US) | 1983-07-05 | — | — | US | disclosed |
| EP-0024503-B1 | N-DENITRATION OF N,2,6-TRINITROANILINES WITH PHASE TRANSFER CATALYSTS | AMERICAN CYANAMID COMPANY (US) | 1983-06-15 | — | — | EP | disclosed |
| EP-0049384-A1 | N-denitration of N,2,6-trinitroanilines with phase transfer catalysts | AMERICAN CYANAMID COMPANY (US) | 1982-04-14 | — | — | EP | disclosed |
| EP-0024503-A1 | N-denitration of N,2,6-trinitroanilines with phase transfer catalysts | AMERICAN CYANAMID COMPANY (US) | 1981-03-11 | — | — | EP | disclosed |