Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30692374 | 1.00 | ALDH1A1 (0.39) | ALDH1A1LMNAMAPTMAPK1TDP1 | |
| SCHEMBL7789248 | 0.92 | CYP1A2 (0.41) | ALDH1A1MAPTTDP1TSHRCYP1A2 | |
| SCHEMBL7783056 | 0.88 | CYP1A2 (0.41) | ALDH1A1LMNAMAPTTDP1TSHR | |
| SCHEMBL7783986 | 0.81 | CYP1A2 (0.41) | ALDH1A1MAPTTDP1TSHRCYP1A2 | |
| SCHEMBL7789245 | 0.81 | ALDH1A1 (0.37) | ALDH1A1TDP1TSHRCYP1A2KDM4E | |
| SCHEMBL30692369 | 0.81 | ALDH1A1 (0.37) | ALDH1A1TDP1TSHRCYP1A2KDM4E | |
| SCHEMBL8651063 | 0.79 | CYP1A2 (0.45) | ALDH1A1LMNAMAPTMAPK1TDP1 | |
| SCHEMBL30692371 | 0.78 | ESR1 (0.44) | ALDH1A1LMNAMAPTTDP1TSHR | |
| SCHEMBL7787975 | 0.77 | CYP1A2 (0.41) | ALDH1A1MAPTMAPK1TDP1TSHR | |
| SCHEMBL30692370 | 0.74 | KDM4E (0.54) | ALDH1A1LMNATDP1KDM4EMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0870756-B1 | Process for the preparation of 3,4-disubstituted dinitroanilines | CFPI NUFARM (FR) | 2001-11-07 | — | — | EP | disclosed |
| US-6028226-A | Process for 3,4-disubstituted dinitroanilines | CFPI AGRO (FR) | 2000-02-22 | — | — | US | disclosed |
| EP-0870756-A1 | Process for the preparation of 3,4-disubstituted dinitroanilines | CFPI AGRO (FR) | 1998-10-14 | — | — | EP | disclosed |