Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | AKT1 | P31749 | 1/20 | 0.34 |
| ▸ | AKT2 | P31751 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | RPS6KA1 | Q15418 | 1/20 | 0.34 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.33 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.33 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.33 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.33 |
| ▸ | ACACB | O00763 | 1/20 | 0.33 |
| ▸ | NEK2 | P51955 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
| ▸ | GPR6 | P46095 | 1/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL29005533 | 0.90 | CHEK1 (0.39) | CHEK1 | |
| Trifluoroacetic Acid SCHEMBL29005450 | 0.85 | HRH4 (0.40) | MAPK1GPR6CHEK1HRH4HRH3 | |
| Trifluoroacetic Acid SCHEMBL29005569 | 0.80 | PARP1 (0.34) | NEK2CHEK1 | |
| Trifluoroacetic Acid SCHEMBL29005459 | 0.79 | CCNK (0.44) | CHEK1 | |
| Trifluoroacetic Acid SCHEMBL29005531 | 0.78 | HRH4 (0.41) | CHEK1HRH4HRH3 | |
| Trifluoroacetic Acid SCHEMBL29361498 | 0.78 | CCNT1 (0.42) | ABL1CTSSGPR6MALT1 | |
| Trifluoroacetic Acid SCHEMBL29005633 | 0.77 | HRH4 (0.40) | ABL1GPR6HRH4HRH3 | |
| Trifluoroacetic Acid SCHEMBL29005635 | 0.69 | TERT (0.41) | — | |
| Trifluoroacetic Acid SCHEMBL29005438 | 0.68 | CCNT1 (0.42) | ABL1MAPK1 | |
| SCHEMBL25027642 | 0.67 | GSK3B (0.47) | ABL1ROCK1TLR9TLR7 |
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-115996926-A | Indole compounds as androgen receptor modulators | 尼多生物科学有限公司 | 2023-04-21 | — | — | CN | disclosed |