Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR17 | Q13304 | 3/20 | 0.50 |
| ▸ | P2RY2 | P41231 | 1/20 | 0.50 |
| ▸ | ALPL | P05186 | 3/20 | 0.45 |
| ▸ | ALPI | P09923 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9508889 | 0.87 | ALPL (0.46) | GPR17ALPLALPITDP1ALDH1A1 | |
| SCHEMBL11449025 | 0.85 | TSHR (0.54) | GPR17P2RY2ALPLALPITDP1 | |
| SCHEMBL11448255 | 0.85 | ALPL (0.59) | GPR17P2RY2ALPLALPIALDH1A1 | |
| SCHEMBL8819570 | 0.83 | GPR17 (0.61) | GPR17P2RY2ALPLALPIALDH1A1 | |
| SCHEMBL8818922 | 0.81 | GPR17 (0.65) | GPR17P2RY2ALPLALPIALDH1A1 | |
| SCHEMBL4138555 | 0.79 | HTT (0.61) | GPR17P2RY2TDP1ALDH1A1NPSR1 | |
| SCHEMBL10477301 | 0.77 | F2 (0.48) | GPR17P2RY2TDP1ALDH1A1GAA | |
| SCHEMBL11628222 | 0.76 | TSHR (0.52) | GPR17P2RY2ALPLALPIALDH1A1 | |
| SCHEMBL4127164 | 0.76 | PPARG (0.56) | GPR17P2RY2ALPLALPITDP1 | |
| SCHEMBL14217271 | 0.75 | ALDH1A1 (0.56) | GPR17P2RY2TDP1ALDH1A1GAA |
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-4797427-A | ESTERIFICATION, HYDROGENATION | BAYER AKTIENGESELLSCHAFT (DE) | 1989-01-10 | — | — | US | disclosed |