Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | HPN | P05981 | 2/20 | 0.48 |
| ▸ | PLAU | P00749 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | GAA | P10253 | 4/20 | 0.48 |
| ▸ | GLA | P06280 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL28572871 | 0.86 | CYP2C19 (0.51) | ALDH1A1KMT2AMEN1HPNPLAU | |
| SCHEMBL9611224 | 0.84 | ALDH1A1 (0.56) | ALDH1A1KMT2AMEN1HPNPLAU | |
| SCHEMBL9611222 | 0.84 | ALDH1A1 (0.56) | ALDH1A1KMT2AMEN1HPNPLAU | |
| SCHEMBL28587826 | 0.81 | NHERF1 (0.44) | ALDH1A1KMT2AMEN1HPNKDM4E | |
| SCHEMBL28585258 | 0.81 | EGFR (0.44) | ALDH1A1KMT2AMEN1KDM4EGAA | |
| SCHEMBL12481966 | 0.78 | ALDH1A1 (0.57) | ALDH1A1KMT2AMEN1HPNPLAU | |
| SCHEMBL8441582 | 0.78 | ALDH1A1 (0.53) | ALDH1A1KMT2AMEN1HPNPLAU | |
| SCHEMBL15338715 | 0.78 | ALDH1A1 (0.59) | ALDH1A1KMT2AMEN1HPNPLAU | |
| SCHEMBL2161085 | 0.77 | ALDH1A1 (0.62) | ALDH1A1KMT2AMEN1HPNPLAU | |
| SCHEMBL1000596 | 0.77 | ALDH1A1 (0.62) | ALDH1A1KMT2AMEN1HPNPLAU |
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-2009110655-A1 | NOVEL BETA SUBSTITUTED MORITA-BAYLIS-HILLMAN DERIVATIVES | SUNGKYUNKWAN UNIVERSITY FOUNDATION FOR CORPORATE COLLABORATION (KR) | 2009-09-11 | — | — | WO | disclosed |