Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | GBA1 | P04062 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.41 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | FUCA1 | P04066 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | STAT6 | P42226 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28041981 | 0.81 | HPGD (0.42) | GAAPARP1DDB1CRBNL3MBTL1 | |
| SCHEMBL755504 | 0.81 | MAPT (0.45) | MAPTSIGMAR1 | |
| SCHEMBL22873345 | 0.81 | MAPT (0.45) | MAPTSIGMAR1 | |
| SCHEMBL28041842 | 0.81 | RGS4 (0.41) | GAAPARP1DDB1CRBNL3MBTL1 | |
| SCHEMBL24365247 | 0.79 | PARP1 (0.46) | GAAPARP1DDB1CRBNL3MBTL1 | |
| SCHEMBL3557054 | 0.79 | — | — | |
| SCHEMBL8924663 | 0.79 | — | — | |
| SCHEMBL14155712 | 0.78 | SIGMAR1 (0.42) | KMT2AGAAALDH1A1SIGMAR1 | |
| SCHEMBL14034000 | 0.77 | PARP1 (0.39) | GAAPARP1DDB1CRBNL3MBTL1 | |
| Ethylene SCHEMBL8926624 | 0.77 | — | — |
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-9977024-B2 | Targeted covalent probes and inhibitors of proteins containing redox-sensitive cysteines | THE SCRIPPS RESEARCH INSTITUTE (US) | 2018-05-22 | — | — | US | disclosed |