Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 4/20 | 0.37 |
| ▸ | CES2 | O00748 | 3/20 | 0.36 |
| ▸ | CES1 | P23141 | 2/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.34 |
| ▸ | VNN1 | O95497 | 1/20 | 0.34 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.33 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | KCNN4 | O15554 | 3/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7920531 | 0.83 | HTR3E (0.41) | SCN9AALDH1A1 | |
| SCHEMBL8088559 | 0.82 | KIF11 (0.35) | KIF11 | |
| SCHEMBL7929893 | 0.82 | DAO (0.41) | KIF11CES2CES1ALDH1A1HPGD | |
| SCHEMBL7920532 | 0.81 | F2 (0.37) | KIF11CES2SCN9ANR3C2VNN1 | |
| SCHEMBL29782972 | 0.79 | CES2 (0.46) | CES2CES1 | |
| SCHEMBL7146004 | 0.79 | CES2 (0.46) | CES2CES1 | |
| SCHEMBL29196720 | 0.78 | LMNA (0.47) | KIF11LMNA | |
| SCHEMBL7916930 | 0.78 | KIF11 (0.33) | KIF11 | |
| SCHEMBL7932574 | 0.78 | NOTUM (0.49) | KIF11CES2CES1KDM4ETSHR | |
| SCHEMBL3708513 | 0.77 | CES2 (0.48) | CES2CES1SCN9AKCNN4 |
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 5 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-6211232-B1 | REACTION OF BENZONITRILE WITH HYDROXYLAMINE IN THE PRESENCE OF CHELATION AGENT | NIPPON SODA CO., LTD. (JP) | 2001-04-03 | — | — | US | disclosed |
| US-6054624-A | USEFUL AS THE STARTING MATERIALS FOR PRODUCING PESTICIDES, DRUGS AND THE LIKE | NIPPON SODA CO., LTD. (JP) | 2000-04-25 | — | — | US | 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 |