Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 3/20 | 0.51 |
| ▸ | GFER | P55789 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.46 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.46 |
| ▸ | TAS1R2 | Q8TE23 | 2/20 | 0.46 |
| ▸ | TYMS | P04818 | 1/20 | 0.45 |
| ▸ | GRM5 | P41594 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | MPO | P05164 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5258190 | 1.00 | L3MBTL1 (0.51) | L3MBTL1GAAGFERHSD17B10ALDH1A1 | |
| SCHEMBL1756678 | 0.85 | SSTR3 (0.52) | ALDH1A1HTT | |
| SCHEMBL1756674 | 0.85 | SSTR3 (0.52) | ALDH1A1HTT | |
| SCHEMBL1727942 | 0.85 | SSTR3 (0.52) | ALDH1A1HTT | |
| SCHEMBL5032040 | 0.85 | SSTR3 (0.52) | ALDH1A1HTT | |
| SCHEMBL8803719 | 0.85 | SSTR3 (0.52) | ALDH1A1HTT | |
| SCHEMBL607580 | 0.85 | SSTR3 (0.52) | ALDH1A1HTT | |
| SCHEMBL603555 | 0.85 | SSTR3 (0.52) | ALDH1A1HTT | |
| SCHEMBL5365438 | 0.83 | PRKCE (0.51) | TAS1R3TAS1R1TAS1R2TYMSCYP1A2 | |
| SCHEMBL16489793 | 0.82 | MMP2 (0.54) | ALDH1A1GRM5HTT |
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 |
|---|---|---|---|---|---|---|---|
| US-6747053-B2 | Heteroaryl nitriles | ROCHE PALO ALTO LLC | 2004-06-08 | — | — | US | disclosed |