Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 3/20 | 0.35 |
| ▸ | MBOAT4 | Q96T53 | 2/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.33 |
| ▸ | VNN1 | O95497 | 1/20 | 0.33 |
| ▸ | KLKB1 | P03952 | 2/20 | 0.33 |
| ▸ | MAP4K1 | Q92918 | 2/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.31 |
| ▸ | CDK1 | P06493 | 1/20 | 0.31 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.31 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 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 | |
|---|---|---|---|---|
| SCHEMBL25786963 | 0.71 | MBOAT4 (0.37) | MBOAT4POLBCTSK | |
| SCHEMBL25537805 | 0.67 | CTSK (0.41) | MBOAT4CTSSCTSK | |
| SCHEMBL9908622 | 0.66 | PTGS2 (0.39) | PTGS2 | |
| SCHEMBL24252515 | 0.66 | ALDH1A1 (0.37) | POLB | |
| SCHEMBL17177766 | 0.66 | LRRK2 (0.40) | KDM1ALRRK2PTGS2CCNT1CDK1 | |
| SCHEMBL17169788 | 0.65 | PIK3CG (0.36) | KDM1APTGDR2PTGS2 | |
| SCHEMBL30407046 | 0.65 | CCR1 (0.36) | PTGDR2VNN1CYP11B2PTGS2 | |
| SCHEMBL25230493 | 0.65 | CCR1 (0.36) | PTGDR2VNN1CYP11B2PTGS2 | |
| SCHEMBL29541780 | 0.65 | PIK3CG (0.36) | KDM1APTGDR2PTGS2 | |
| SCHEMBL3129453 | 0.65 | PRMT5 (0.43) | — |
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-2021113263-A1 | CRF RECEPTOR ANTAGONISTS AND METHODS OF USE | NEUROCRINE BIOSCIENCES, INC. (US) | 2021-06-10 | — | — | WO | disclosed |