Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA4 | P22748 | 2/20 | 0.40 |
| ▸ | CA6 | P23280 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.40 |
| ▸ | CA3 | P07451 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.40 |
| ▸ | TPMT | P51580 | 2/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | P4HTM | Q9NXG6 | 3/20 | 0.38 |
| ▸ | HPGDS | O60760 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8768358 | 0.82 | CA12 (0.53) | CA12CA1CA2CA4CA6 | |
| SCHEMBL8787360 | 0.81 | KDM4E (0.50) | CA12CA1CA2CA4CA6 | |
| SCHEMBL8874902 | 0.75 | CA12 (0.49) | CA12CA1CA2CA4CA6 | |
| SCHEMBL3371450 | 0.74 | LCK (0.44) | CA12CA1CA2CA4CA6 | |
| SCHEMBL20943958 | 0.73 | RECQL (0.44) | CA12CA1CA2CA4CA6 | |
| SCHEMBL27393841 | 0.73 | CYP2C9 (0.55) | CA12CA1CA2CA7CA9 | |
| SCHEMBL20943959 | 0.73 | RECQL (0.44) | CA12CA1CA2CA4CA6 | |
| SCHEMBL22396419 | 0.73 | LCK (0.41) | CA12CA1CA2CA4CA6 | |
| SCHEMBL8786409 | 0.73 | TP53 (0.55) | L3MBTL1 | |
| Hydrochloric Acid SCHEMBL17161072 | 0.73 | LCK (0.43) | CA12CA1CA2CA4CA6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3704113-A1 | BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS | Bristol-Myers Squibb Company (US) | 2020-09-09 | — | — | EP | disclosed |