Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | PLK1 | P53350 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9115949 | 1.00 | CA1 (0.43) | CA1EPHX2PLK1ALDH1A1MAPT | |
| SCHEMBL9113167 | 0.94 | DRD3 (0.42) | CA1PLK1ALDH1A1HTTDRD3 | |
| SCHEMBL13990331 | 0.77 | ALDH1A1 (0.54) | CA1ALDH1A1MAPTMEN1HTT | |
| SCHEMBL9114778 | 0.76 | MMP2 (0.56) | CA1EPHX2ALDH1A1MAPTHTT | |
| SCHEMBL9115051 | 0.76 | MMP2 (0.56) | CA1EPHX2ALDH1A1MAPTHTT | |
| SCHEMBL8901194 | 0.76 | CES2 (0.51) | CA1ALDH1A1ACE2 | |
| SCHEMBL6686403 | 0.76 | CES2 (0.51) | CA1ALDH1A1ACE2 | |
| SCHEMBL6684015 | 0.76 | CES2 (0.51) | CA1ALDH1A1ACE2 | |
| SCHEMBL1195165 | 0.76 | CES2 (0.51) | CA1ALDH1A1ACE2 | |
| SCHEMBL6683969 | 0.76 | CES2 (0.51) | CA1ALDH1A1ACE2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1995014383-A1 | ALKYL-N-PYRROLES | BAYER AKTIENGESELLSCHAFT (DE) | 1995-06-01 | — | — | WO | disclosed |