Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 10/20 | 0.47 |
| ▸ | CA2 | P00918 | 10/20 | 0.47 |
| ▸ | CA12 | O43570 | 7/20 | 0.47 |
| ▸ | CA9 | Q16790 | 7/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | STK17B | O94768 | 1/20 | 0.41 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | NQO2 | P16083 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MIF | P14174 | 1/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL24742533 | 0.90 | CA12 (0.42) | CA1CA2CA12CA9TDP1 | |
| SCHEMBL24741979 | 0.89 | CA1 (0.46) | CA1CA2CA12CA9TDP1 | |
| SCHEMBL24742380 | 0.89 | DRD2 (0.42) | CA1CA2CA12CA9TDP1 | |
| SCHEMBL24742513 | 0.80 | DRD2 (0.42) | CA1CA2CA12CA9MEN1 | |
| SCHEMBL24743050 | 0.79 | CA12 (0.45) | CA1CA2CA12CA9TDP1 | |
| SCHEMBL24741858 | 0.77 | CA1 (0.43) | CA1CA2CA12CA9TDP1 | |
| SCHEMBL24742372 | 0.77 | CA12 (0.43) | CA1CA2CA12CA9TDP1 | |
| SCHEMBL24742549 | 0.76 | CA12 (0.42) | CA1CA2CA12CA9TDP1 | |
| SCHEMBL27328190 | 0.75 | TDP1 (0.51) | CA1CA2CA12CA9TDP1 | |
| SCHEMBL24743044 | 0.75 | STK17B (0.46) | CA1CA2CA12CA9TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022206888-A1 | CDK2 INHIBITORS AND USE THEREOF | QILU REGOR THERAPEUTICS INC. (CN) | 2022-10-06 | — | — | WO | disclosed |