Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 2/20 | 0.37 |
| ▸ | CES1 | P23141 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ASPH | Q12797 | 1/20 | 0.36 |
| ▸ | KDM8 | Q8N371 | 1/20 | 0.36 |
| ▸ | CDC25A | P30304 | 1/20 | 0.36 |
| ▸ | CDC25B | P30305 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14645588 | 0.86 | EPHX2 (0.43) | HDAC1HDAC6HDAC8CES2CES1 | |
| SCHEMBL2804263 | 0.82 | ALDH1A1 (0.42) | HDAC1HDAC6KDM4EHSD17B10TDP1 | |
| SCHEMBL22396417 | 0.80 | AKR1C3 (0.44) | HDAC1HDAC6HDAC8CES2KDM4E | |
| SCHEMBL336060 | 0.79 | KDM4E (0.52) | SIRT5CES2CES1CYP3A4KDM4E | |
| SCHEMBL30506215 | 0.77 | CES2 (0.50) | HDAC1HDAC6CES2CES1RAB9A | |
| SCHEMBL4358318 | 0.77 | TDP1 (0.55) | SIRT5CES2CES1CYP3A4KDM4E | |
| SCHEMBL640675 | 0.77 | CES2 (0.50) | HDAC1HDAC6CES2CES1RAB9A | |
| SCHEMBL18205175 | 0.76 | LMNA (0.45) | HDAC1HDAC6CES2CES1KDM4E | |
| SCHEMBL2226689 | 0.76 | POLB (0.50) | HDAC1HDAC6HDAC8KDM4EAKR1C2 | |
| SCHEMBL22396389 | 0.75 | ALOX15 (0.42) | KDM4EAKR1C2L3MBTL1ALDH1A1SMN1; SMN2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3704113-B1 | BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS | BRISTOL MYERS SQUIBB CO (US) | 2023-10-11 | — | — | EP | disclosed |
| WO-2011088181-A9 | COMPOUNDS AND METHODS | TEMPERO PHARMACEUTICALS, INC. (US) | 2013-01-31 | — | — | WO | disclosed |
| EP-2533783-A1 | COMPOUNDS AND METHODS | Tempero Pharmaceuticals, Inc. (US) | 2012-12-19 | — | — | EP | disclosed |
| WO-2011088181-A1 | COMPOUNDS AND METHODS | TEMPERO PHARMACEUTICALS, INC. (US) | 2011-07-21 | — | — | WO | disclosed |