Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | CMA1 | P23946 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SLC6A1 | P30531 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL7359510 | 0.80 | GRM1 (0.47) | CYP1A2 | |
| SCHEMBL7350398 | 0.78 | LMNA (0.42) | ALDH1A1KMT2ANPSR1 | |
| SCHEMBL575938 | 0.75 | LMNA (0.31) | — | |
| SCHEMBL7358104 | 0.75 | GRM1 (0.34) | — | |
| SCHEMBL7357694 | 0.72 | GRM1 (0.46) | CYP1A2SLC6A2SLC6A3SLC6A4 | |
| Safrole SCHEMBL2039562 | 0.69 | CYP3A4 (1.00) | CYP3A4CYP1A2MAPTCMA1ALDH1A1 | |
| Safrole SCHEMBL56828 | 0.69 | CYP3A4 (1.00) | CYP3A4CYP1A2MAPTCMA1ALDH1A1 | |
| Safrole SCHEMBL29368306 | 0.69 | CYP3A4 (1.00) | CYP3A4CYP1A2MAPTCMA1ALDH1A1 | |
| Safrole SCHEMBL27814983 | 0.68 | CYP3A4 (0.96) | CYP3A4CYP1A2MAPTCMA1ALDH1A1 | |
| Safrole SCHEMBL28606225 | 0.68 | CYP3A4 (0.96) | CYP3A4CYP1A2MAPTCMA1ALDH1A1 |
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-1999036419-A1 | SUBSTITUTED LACTONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | BAYER AKTIENGESELLSCHAFT (DE) | 1999-07-22 | — | — | WO | claimed |