Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | LCK | P06239 | 4/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | ATR | Q13535 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ALPG | P10696 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
| ▸ | PSMB8 | P28062 | 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 | |
|---|---|---|---|---|
| SCHEMBL20542063 | 0.83 | CA1 (0.40) | CA1CA2NAMPTCYP17A1ATR | |
| SCHEMBL24408329 | 0.81 | CYP17A1 (0.37) | CA1CA2NAMPTCYP17A1ATR | |
| SCHEMBL21754350 | 0.80 | MIF (0.38) | CA1CA2LCKNAMPTCYP17A1 | |
| SCHEMBL21754348 | 0.80 | CA1 (0.36) | CA1CA2NAMPTCYP17A1ATR | |
| SCHEMBL20557969 | 0.78 | SMN1; SMN2 (0.55) | CA1CA2NAMPTNPC1ALDH1A1 | |
| SCHEMBL20310148 | 0.75 | ROCK2 (0.44) | CTSKNPC1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL15813380 | 0.74 | CYP17A1 (0.34) | CTSKCA1CA2NAMPTCYP17A1 | |
| SCHEMBL15813381 | 0.74 | CYP4A11 (0.39) | CYP2C9PTGDR2 | |
| SCHEMBL16845708 | 0.74 | L3MBTL1 (0.57) | LCKNPC1ALDH1A1RAB9A | |
| SCHEMBL31363541 | 0.73 | LCK (0.47) | CA1LCKCA12CA9NAMPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108884050-B | Tetrahydroisoquinoline derivatives | UCB生物制药私人有限公司 | 2022-07-05 | — | — | CN | disclosed |
| CN-108884050-A | Tetrahydroisoquinoline derivatives | UCB生物制药私人有限公司 | 2018-11-23 | — | — | CN | disclosed |