Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 3/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.46 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.43 |
| ▸ | IKBKB | O14920 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.41 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.41 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.41 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.41 |
| ▸ | RORC | P51449 | 1/20 | 0.40 |
| ▸ | RORB | Q92753 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.39 |
| ▸ | PARP11 | Q9NR21 | 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 | |
|---|---|---|---|---|
| SCHEMBL18286700 | 0.87 | AKR1C3 (0.46) | AKR1C3AKR1C2KCNA3IKBKBBRD4 | |
| SCHEMBL26375402 | 0.80 | SLC1A3 (0.50) | AKR1C3AKR1C2KCNA3IKBKBBRD4 | |
| SCHEMBL10094660 | 0.79 | SLC1A3 (0.47) | AKR1C3AKR1C2KCNA3IKBKBBRD4 | |
| SCHEMBL12629284 | 0.77 | SLC1A3 (0.48) | AKR1C3AKR1C2KCNA3IKBKBBRD4 | |
| SCHEMBL321574 | 0.76 | AR (0.50) | AKR1C3AKR1C2KCNA3IKBKBBRD4 | |
| SCHEMBL16806029 | 0.76 | AKR1C3 (0.51) | AKR1C3AKR1C2IKBKBRORCRORB | |
| SCHEMBL29237818 | 0.75 | AKR1C3 (0.47) | AKR1C3AKR1C2RORCRORBADORA2A | |
| SCHEMBL16574009 | 0.74 | SLC1A3 (0.49) | KCNA3IKBKBBRD4SLC1A3SLC1A2 | |
| SCHEMBL6586233 | 0.74 | SLC1A3 (0.46) | AKR1C3AKR1C2KCNA3IKBKBBRD4 | |
| SCHEMBL26375358 | 0.73 | PDE3B (0.44) | AKR1C3AKR1C2SLC1A3SLC1A2SLC1A1 |
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-2021038419-A1 | KINASE INHIBITORS AND METHODS OF SYNTHESIS AND TREATMENT | INSILICO MEDICINE IP LIMITED (CN) | 2021-03-04 | — | — | WO | disclosed |