Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7070206 | 0.82 | ESR1 (0.54) | ALDH1A1HTTNPSR1LMNASMN1; SMN2 | |
| SCHEMBL7070205 | 0.82 | ESR1 (0.54) | ALDH1A1HTTNPSR1LMNASMN1; SMN2 | |
| SCHEMBL19963519 | 0.80 | CYP19A1 (0.45) | ALDH1A1TDP1LMNAMEN1KMT2A | |
| SCHEMBL18538934 | 0.78 | ALDH1A1 (0.39) | ALDH1A1TDP1HTTNPSR1LMNA | |
| SCHEMBL25150400 | 0.78 | NR4A1 (0.42) | ALDH1A1TDP1HTTNPSR1LMNA | |
| SCHEMBL9609511 | 0.77 | ALDH1A1 (0.52) | ALDH1A1TDP1HTTNPSR1LMNA | |
| SCHEMBL12921562 | 0.77 | ALDH1A1 (0.52) | ALDH1A1TDP1HTTNPSR1LMNA | |
| SCHEMBL14731820 | 0.77 | ALDH1A1 (0.52) | ALDH1A1TDP1HTTNPSR1LMNA | |
| SCHEMBL18539036 | 0.77 | ALDH1A1 (0.38) | ALDH1A1TDP1HTTNPSR1LMNA | |
| SCHEMBL8670406 | 0.76 | ALDH1A1 (0.44) | ALDH1A1TDP1HTTNPSR1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3187492-A1 | PYRIMIDINONE DERIVATIVE HAVING AUTOTAXIN-INHIBITORY ACTIVITY | The University of Tokyo (JP) | 2017-07-05 | — | — | EP | disclosed |