Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | ERN1 | O75460 | 3/20 | 0.40 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.35 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | PRKDC | P78527 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL26794162 | 0.85 | ALDH1A1 (0.39) | TSHRALDH1A1ERN1VCAM1GRIN2D | |
| SCHEMBL10478010 | 0.83 | TSHR (0.57) | TSHRALDH1A1ERN1VCAM1GRIN2D | |
| SCHEMBL23000411 | 0.78 | TSHR (0.50) | TSHRALDH1A1VCAM1GRIN2DGRIN3B | |
| SCHEMBL9789842 | 0.78 | TSHR (0.67) | TSHRALDH1A1ERN1VCAM1GRIN2D | |
| SCHEMBL18987688 | 0.75 | ERN1 (0.53) | TSHRALDH1A1ERN1VCAM1HSD17B10 | |
| SCHEMBL29005655 | 0.75 | TSHR (0.56) | TSHRALDH1A1ERN1VCAM1HSD17B10 | |
| SCHEMBL30766284 | 0.74 | TSHR (0.67) | TSHRALDH1A1ERN1VCAM1GRIN2D | |
| SCHEMBL203116 | 0.74 | TSHR (0.67) | TSHRALDH1A1ERN1VCAM1GRIN2D | |
| SCHEMBL202953 | 0.73 | TSHR (0.72) | TSHRALDH1A1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL23302874 | 0.72 | ALDH1A1 (0.54) | TSHRALDH1A1VCAM1GRIN2DGRIN3B |
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 |
|---|---|---|---|---|---|---|---|
| US-4456772-A | Process for the preparation of optionally substituted fluoro-nitro-benzaldehydes | BAYER AKTIENGESELLSCHAFT (DE) | 1984-06-26 | — | — | US | disclosed |
| EP-0061113-B1 | METHOD FOR THE PREPARATION OF OPTIONALLY SUBSTITUTED FLUORONITROBENZALDEHYDES | BAYER AG (DE) | 1984-06-06 | — | — | EP | disclosed |
| EP-0061113-A1 | Method for the preparation of optionally substituted fluoronitrobenzaldehydes | BAYER AG (DE) | 1982-09-29 | — | — | EP | disclosed |