Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.37 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.37 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.37 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.37 |
| ▸ | GSR | P00390 | 1/20 | 0.37 |
| ▸ | ERN1 | O75460 | 1/20 | 0.34 |
| ▸ | TLR8 | Q9NR97 | 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 | |
|---|---|---|---|---|
| SCHEMBL1458014 | 0.86 | ALDH1A1 (0.55) | ALDH1A1MEN1KMT2AHSP90AA1TSHR | |
| SCHEMBL2366617 | 0.80 | ERN1 (0.49) | ALDH1A1MEN1KMT2AHSP90AA1TSHR | |
| SCHEMBL16957201 | 0.79 | MEN1 (0.43) | ALDH1A1MEN1KMT2AHSP90AA1TSHR | |
| SCHEMBL670917 | 0.77 | TSHR (0.58) | ALDH1A1MEN1KMT2AHSP90AA1TSHR | |
| SCHEMBL8927858 | 0.75 | ALDH1A1 (0.65) | ALDH1A1MEN1KMT2ATSHRMAPT | |
| SCHEMBL29074275 | 0.73 | NFE2L2 (0.50) | ALDH1A1MEN1KMT2AHSP90AA1MAPT | |
| SCHEMBL8517220 | 0.72 | HSP90AA1 (0.47) | ALDH1A1MEN1KMT2AHSP90AA1TSHR | |
| SCHEMBL5829863 | 0.72 | MAPT (0.58) | ALDH1A1MEN1KMT2AHSP90AA1TDP1 | |
| SCHEMBL5829866 | 0.72 | MAPT (0.58) | ALDH1A1MEN1KMT2AHSP90AA1TDP1 | |
| SCHEMBL2266564 | 0.72 | TSHR (0.43) | ALDH1A1MEN1KMT2AHSP90AA1TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5650542-A | Process for the preparation of 2-chloro-6-nitrophenyl alkyl sulphides and novel 2-chloro-6-nitrophenyl alkyl sulphides | BAYER AKTIENGESELLSCHAFT (DE) | 1997-07-22 | — | — | US | disclosed |