Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.46 |
| ▸ | CA1 | P00915 | 5/20 | 0.46 |
| ▸ | CA2 | P00918 | 5/20 | 0.46 |
| ▸ | CA9 | Q16790 | 5/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.42 |
| ▸ | FPR3 | P25089 | 5/20 | 0.42 |
| ▸ | FPR2 | P25090 | 5/20 | 0.42 |
| ▸ | STK17B | O94768 | 1/20 | 0.42 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.42 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL23720473 | 1.00 | CA12 (0.46) | CA12CA1CA2CA9NPC1 | |
| SCHEMBL23720492 | 0.97 | CA12 (0.47) | CA12CA1CA2CA9NPC1 | |
| SCHEMBL23720472 | 0.94 | CA12 (0.50) | CA12CA1CA2CA9NPC1 | |
| SCHEMBL23720486 | 0.93 | BCHE (0.43) | CA12CA1CA2CA9NPC1 | |
| SCHEMBL18530389 | 0.91 | CA12 (0.49) | CA12CA1CA2CA9NPC1 | |
| SCHEMBL30564446 | 0.91 | CA12 (0.49) | CA12CA1CA2CA9NPC1 | |
| SCHEMBL20204057 | 0.81 | CA12 (0.51) | CA12CA1CA2CA9STK17B | |
| SCHEMBL17941145 | 0.80 | DGAT1 (0.43) | NPC1RAB9AFPR3FPR2DGAT1 | |
| SCHEMBL22907011 | 0.80 | DGAT1 (0.43) | NPC1RAB9AFPR2DGAT1 | |
| SCHEMBL16980667 | 0.80 | CA1 (0.53) | CA12CA1CA2CA9STK17B |
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-2021155006-A1 | INHIBITORS OF CYCLIN-DEPENDENT KINASES AND USES THEREOF | LES LABORATOIRES SERVIER SAS (FR) | 2021-08-05 | — | — | WO | disclosed |