Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | PSIP1 | O75475 | 2/20 | 0.35 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.33 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.32 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20300406 | 1.00 | CA2 (0.37) | CA2PSIP1RIPK1CYP1A2CYP2D6 | |
| SCHEMBL1940002 | 0.84 | CCR2 (0.40) | — | |
| SCHEMBL30457289 | 0.84 | CCR2 (0.40) | — | |
| SCHEMBL20300285 | 0.82 | CA2 (0.44) | CA2PSIP1RIPK1CYP4F2CYP4A11 | |
| SCHEMBL24050785 | 0.80 | CA2 (0.41) | CA2 | |
| SCHEMBL24050330 | 0.80 | TRPV4 (0.36) | CA2CYP4F2CYP4A11KCNA5 | |
| SCHEMBL14744537 | 0.78 | HPGD (0.43) | CA2KMT2ATDP1TSHR | |
| SCHEMBL16011120 | 0.78 | NMT1 (0.47) | CA2TDP1DDR1TSHR | |
| SCHEMBL776801 | 0.77 | AKR1B1 (0.44) | CA2HTR6DDR1KDM2BTSHR | |
| SCHEMBL1795036 | 0.77 | USP30 (0.39) | CYP2C9KMT2AMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116162084-A | Pyran derivatives as CYP11A1 inhibitors | 奥赖恩公司 | 2023-05-26 | — | — | CN | disclosed |