Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 5/20 | 0.44 |
| ▸ | CA2 | P00918 | 5/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7983730 | 0.89 | CES2 (0.50) | CES2CES1CA1CA2HDAC3 | |
| SCHEMBL7984806 | 0.86 | PARP10 (0.50) | CA1CA2PARP10TAS1R3TAS1R1 | |
| SCHEMBL7987818 | 0.84 | KMT2A (0.49) | PARP10HTTNPSR1 | |
| SCHEMBL7973364 | 0.82 | ALDH1A1 (0.53) | CES2CES1PARP1TAS1R3TAS1R1 | |
| SCHEMBL7973489 | 0.81 | KDM4E (0.41) | CES2CES1CA1HDAC3HDAC1 | |
| SCHEMBL7987813 | 0.81 | HTR7 (0.45) | CES2CES1CA1CA2HDAC3 | |
| SCHEMBL7973224 | 0.81 | HTT (0.42) | CES2CES1CA1CA2HDAC3 | |
| SCHEMBL7973249 | 0.81 | ALDH1A1 (0.47) | CA2TAS1R3TAS1R1 | |
| SCHEMBL7973495 | 0.80 | NPSR1 (0.46) | CES2CES1HSD11B1NPSR1 | |
| SCHEMBL7985090 | 0.80 | CES2 (0.55) | CES2CES1CA1CA2HDAC3 |
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-6331628-B1 | REACTING A SUBSTITUTED HALOBENZENE WITH POTASSIUM, SODIUM AND/OR ZINC CYANIDE IN THE PRESENCE OF A METALLIC CATALYST | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2001-12-18 | — | — | US | disclosed |