Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.30 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.30 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.30 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.30 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.30 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.30 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7789242 | 0.87 | ALDH1A1 (0.38) | ALDH1A1TSHRTDP1LMNAPOLB | |
| SCHEMBL7792790 | 0.84 | TDP1 (0.40) | ALDH1A1TSHRTDP1LMNACYP1A2 | |
| SCHEMBL7789681 | 0.78 | ALDH1A1 (0.34) | ALDH1A1TSHRTDP1CYP1A2MAPT | |
| SCHEMBL7790776 | 0.74 | CYP1A2 (0.43) | ALDH1A1TSHRTDP1CYP1A2MAPT | |
| SCHEMBL7789238 | 0.73 | TSHR (0.39) | ALDH1A1TSHRTDP1CYP1A2SMN1; SMN2 | |
| SCHEMBL7793069 | 0.72 | ALDH1A1 (0.36) | ALDH1A1TSHRTDP1LMNAPOLB | |
| SCHEMBL7787975 | 0.72 | CYP1A2 (0.41) | ALDH1A1TSHRTDP1CYP1A2MAPT | |
| SCHEMBL30692374 | 0.72 | ALDH1A1 (0.39) | ALDH1A1TSHRTDP1LMNACYP1A2 | |
| SCHEMBL7789244 | 0.72 | ALDH1A1 (0.39) | ALDH1A1TSHRTDP1LMNACYP1A2 | |
| SCHEMBL7789684 | 0.71 | TSHR (0.39) | ALDH1A1TSHRTDP1LMNAPOLB |
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 |