Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | CCNE2 | O96020 | 5/20 | 0.38 |
| ▸ | CCNE1 | P24864 | 5/20 | 0.38 |
| ▸ | CDK2 | P24941 | 5/20 | 0.38 |
| ▸ | CCNB2 | O95067 | 3/20 | 0.38 |
| ▸ | CDK1 | P06493 | 3/20 | 0.38 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.38 |
| ▸ | CCNB3 | Q8WWL7 | 3/20 | 0.38 |
| ▸ | XDH | P47989 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | JAK3 | P52333 | 2/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | RET | P07949 | 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 | |
|---|---|---|---|---|
| SCHEMBL19490035 | 0.84 | ALDH1A1 (0.36) | CCNE2CCNE1CDK2CCNB2CDK1 | |
| SCHEMBL17681725 | 0.77 | AXL (0.44) | AKR1B1JAK3PTGS2CA2 | |
| SCHEMBL29705791 | 0.75 | AKR1B1 (0.47) | AKR1B1CCNE1CDK2CDK1CCNB1 | |
| SCHEMBL17681729 | 0.75 | AKR1B1 (0.47) | AKR1B1CCNE1CDK2CDK1CCNB1 | |
| SCHEMBL3282402 | 0.69 | CCNE2 (0.45) | CCNE2CCNE1CDK2CCNB2CDK1 | |
| SCHEMBL27789492 | 0.69 | AKR1B1 (0.37) | AKR1B1PTGS2CYP1A2 | |
| SCHEMBL940253 | 0.68 | AKR1B1 (0.59) | AKR1B1TSHRPDE4BCA2 | |
| Hydrochloric Acid SCHEMBL7007880 | 0.68 | CCNE2 (0.44) | CCNE2CCNE1CDK2CCNB2CDK1 | |
| SCHEMBL24802934 | 0.67 | CCNT1 (0.42) | CDK2XDHLMNATSHRADORA2A | |
| SCHEMBL17682382 | 0.67 | AKR1B1 (0.44) | AKR1B1SMN1; SMN2PTGS2 |
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 3 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 |
| EP-3442945-A1 | TETRAHYDROISOQUINOLINE DERIVATIVES | UCB Biopharma SPRL (BE) | 2019-02-20 | — | — | EP | disclosed |
| WO-2017178377-A1 | TETRAHYDROISOQUINOLINE DERIVATIVES | UCB BIOPHARMA SPRL (BE) | 2017-10-19 | — | — | WO | disclosed |