Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.43 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8158046 | 0.86 | ALDH1A1 (0.48) | ALDH1A1L3MBTL1HDAC4HDAC6HDAC3 | |
| SCHEMBL8157649 | 0.85 | ALDH1A1 (0.47) | ALDH1A1L3MBTL1HDAC4HDAC6HDAC3 | |
| SCHEMBL31459345 | 0.84 | ALDH1A1 (0.49) | ALDH1A1L3MBTL1HDAC4HDAC6HDAC3 | |
| SCHEMBL7932574 | 0.83 | NOTUM (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1997194 | 0.83 | CA12 (0.53) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL1998230 | 0.80 | CA12 (0.59) | ALDH1A1L3MBTL1HDAC4HDAC6HDAC3 | |
| SCHEMBL29037249 | 0.79 | TSHR (0.52) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL12945976 | 0.78 | TP53 (0.45) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL8107311 | 0.78 | ALDH1A1 (0.47) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL7929890 | 0.77 | HDAC4 (0.47) | ALDH1A1L3MBTL1HDAC4HDAC6HDAC3 |
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-0847977-B1 | 2,3-DIHALOGENO-6-TRIFLUOROMETHYLBENZENE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME | NIPPON SODA CO (JP) | 2001-08-29 | — | — | EP | disclosed |
| US-6054605-A | CHEMICAL INTERMEDIATE FOR DRUGS, PESTICIDES | NIPPON SODA CO., LTD. (JP) | 2000-04-25 | — | — | US | disclosed |
| EP-0847977-A1 | 2,3-DIHALOGENO-6-TRIFLUOROMETHYLBENZENE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME | NIPPON SODA CO., LTD. (JP) | 1998-06-17 | — | — | EP | disclosed |