Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.33 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21930796 | 0.79 | TDP1 (0.41) | CA12CA2CA9ALDH1A1TSHR | |
| SCHEMBL31112260 | 0.76 | L3MBTL1 (0.43) | CA12CA2CA9ALDH1A1TSHR | |
| SCHEMBL2255093 | 0.76 | ALDH1A1 (0.53) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL23734263 | 0.76 | GABRA1 (0.52) | CA12CA2CA9ALDH1A1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL9527681 | 0.74 | ALDH1A1 (0.52) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL3530917 | 0.74 | L3MBTL1 (0.49) | ALDH1A1L3MBTL1HDAC3HDAC4HDAC1 | |
| SCHEMBL1506234 | 0.73 | L3MBTL1 (0.56) | ALDH1A1IDO1L3MBTL1HDAC8HDAC6 | |
| SCHEMBL9413635 | 0.73 | ADRA2B (0.44) | CA12CA2CA9ALDH1A1HDAC3 | |
| SCHEMBL14141191 | 0.73 | TAAR1 (0.54) | CA12CA2CA9CYP2D6MEN1 | |
| SCHEMBL10699803 | 0.73 | AR (0.43) | CA12CA2CA9ALDH1A1TSHR |
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-4067355-A1 | SPIRO-CONDENSED PYRROLIDINE DERIVATIVES AS DEUBIQUITYLATING ENZYME (DUB) INHIBITORS | Mission Therapeutics Limited (GB) | 2022-10-05 | — | — | EP | disclosed |