Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | NCF1 | P14598 | 1/20 | 0.30 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10751412 | 0.98 | HTT (0.34) | HTTCYP1A2ALDH1A1 | |
| SCHEMBL2053529 | 0.93 | — | — | |
| SCHEMBL28058906 | 0.82 | — | — | |
| SCHEMBL4368176 | 0.82 | L3MBTL1 (0.42) | HTTCYP1A2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL9582177 | 0.80 | MAPK1 (0.42) | CYP1A2ALDH1A1 | |
| Bromide SCHEMBL10745331 | 0.80 | L3MBTL1 (0.41) | HTTALDH1A1 | |
| SCHEMBL7022671 | 0.80 | CHRM5 (0.40) | HTTNCF1CHRM5ADRA2C | |
| Hydrochloric Acid SCHEMBL9582171 | 0.80 | L3MBTL1 (0.41) | HTTALDH1A1 | |
| SCHEMBL4374453 | 0.80 | L3MBTL1 (0.41) | HTTCYP1A2ALDH1A1 | |
| SCHEMBL4808864 | 0.79 | HTT (0.35) | HTTCYP1A2 |
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-101228164-A | Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods | BRISTOL MYERS SQUIBB CO (US) | 2008-07-23 | — | — | CN | disclosed |