Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | NT5E | P21589 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CASP6 | P55212 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | SNCA | P37840 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7360175 | 0.94 | TSHR (0.46) | ALDH1A1HSD17B10LMNATSHRNT5E | |
| SCHEMBL9511439 | 0.77 | ALDH1A1 (0.41) | ALDH1A1HSD17B10TDP1 | |
| SCHEMBL9507650 | 0.77 | ALDH1A1 (0.41) | ALDH1A1HSD17B10TDP1 | |
| SCHEMBL28935010 | 0.74 | LMNA (0.72) | ALDH1A1HSD17B10LMNATSHRNT5E | |
| SCHEMBL1538013 | 0.74 | LMNA (0.72) | ALDH1A1HSD17B10LMNATSHRNT5E | |
| SCHEMBL5505299 | 0.74 | TSHR (0.39) | ALDH1A1HSD17B10LMNATSHRNT5E | |
| SCHEMBL1416021 | 0.73 | SNCA (0.60) | ALDH1A1HSD17B10LMNATSHRNT5E | |
| SCHEMBL3824024 | 0.73 | SNCA (0.60) | ALDH1A1HSD17B10LMNATSHRNT5E | |
| SCHEMBL7357401 | 0.72 | TDP1 (0.46) | ALDH1A1HSD17B10LMNATDP1HPGD | |
| SCHEMBL3825262 | 0.71 | ALDH1A1 (0.57) | ALDH1A1HSD17B10LMNATSHRNT5E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0399293-B1 | PROCESS FOR PREPARING 2-CHLORO-4-NITRO-ALKYLBENZENE | BAYER AG (DE) | 1993-09-01 | — | — | EP | disclosed |
| EP-0399293-A1 | Process for preparing 2-chloro-4-nitro-alkylbenzene | BAYER AG (DE) | 1990-11-28 | — | — | EP | disclosed |