Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 1.00 |
| ▸ | CES1 | P23141 | 1/20 | 1.00 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 6/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | HSD11B2 | P80365 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11839162 | 1.00 | CES2 (1.00) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL5258023 | 1.00 | CES2 (1.00) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL3071715 | 1.00 | CES2 (1.00) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL8795663 | 0.97 | CES2 (0.93) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL1041539 | 0.93 | CES2 (0.87) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL12329512 | 0.89 | CES2 (0.80) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL145439 | 0.86 | CES2 (0.75) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL2650157 | 0.84 | CES2 (0.72) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL18199938 | 0.84 | CES2 (0.72) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL6159646 | 0.84 | CES2 (0.72) | CES2CES1HDAC8HDAC6TSHR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5716971-A | FOR TREATMENT OF ANGINA PECTORIS AND HYPERTENSION | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-02-10 | — | — | US | disclosed |
| EP-0623597-B1 | Pyridine derivatives, with potassium channel opening activity | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1997-10-22 | — | — | EP | disclosed |
| EP-0623597-A1 | Pyridine derivatives, with potassium channel opening activity | Takeda Chemical Industries, Ltd. (JP) | 1994-11-09 | — | — | EP | disclosed |
| US-4385176-A | RING EXPANSION USING A LEWIS ACID | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1983-05-24 | — | — | US | disclosed |
| US-4308380-A | 2-Lower alkyl-2 or 3-cephem-4-carboxylic acid derivatives | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1981-12-29 | — | — | US | disclosed |
| US-4113940-A | ANTIMICROBIAL | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1978-09-12 | — | — | US | disclosed |