Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 2/20 | 0.35 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL1368267 | 0.82 | IDO1 (0.46) | HTTGAAALDH1A1IDO1GLA | |
| SCHEMBL28160052 | 0.79 | HTT (0.41) | HTTGAAALDH1A1VCAM1IDO1 | |
| SCHEMBL30618307 | 0.78 | VCAM1 (0.56) | HTTGAAALDH1A1VCAM1GLA | |
| SCHEMBL1816348 | 0.78 | VCAM1 (0.56) | HTTGAAALDH1A1VCAM1GLA | |
| SCHEMBL28445576 | 0.75 | CCR1 (0.32) | ALDH1A1TDP1 | |
| SCHEMBL28452456 | 0.75 | PLAU (0.35) | HTTALDH1A1IDO1TDP1HSD17B10 | |
| SCHEMBL15544241 | 0.74 | HSD17B10 (0.51) | HTTGAAALDH1A1VCAM1MEN1 | |
| SCHEMBL30334705 | 0.74 | HSD17B10 (0.51) | HTTGAAALDH1A1VCAM1MEN1 | |
| SCHEMBL30549997 | 0.74 | ALDH1A1 (0.40) | HTTGAAALDH1A1IDO1MEN1 | |
| SCHEMBL17629991 | 0.72 | GAA (0.41) | HTTGAAALDH1A1VCAM1GLA |
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-109053742-A | New tricyclic compound | ABBVIE 公司 | 2018-12-21 | — | — | CN | disclosed |