Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | IDO1 | P14902 | 5/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.37 |
| ▸ | CPA3 | P15088 | 1/20 | 0.37 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | SRR | Q9GZT4 | 2/20 | 0.36 |
| ▸ | ALPI | P09923 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | XIAP | P98170 | 1/20 | 0.35 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28056734 | 0.85 | CYP2C19 (0.38) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL2652667 | 0.81 | CYP1A2 (0.38) | CYP1A2CPA3FOLH1EPHX1SRR | |
| SCHEMBL194644 | 0.81 | CYP1A2 (0.53) | CYP1A2EPHX1ALPIPKMPTGS1 | |
| SCHEMBL19526 | 0.79 | CYP1A2 (0.37) | CYP1A2CPA3FOLH1EPHX1SRR | |
| SCHEMBL1715656 | 0.78 | SRR (0.40) | CYP1A2IDO1EPHX1SRRALPI | |
| SCHEMBL20262079 | 0.78 | EPHX1 (0.55) | CYP1A2CPA3FOLH1EPHX1SRR | |
| SCHEMBL10632921 | 0.77 | CYP1A2 (0.36) | CYP1A2IDO1EPHX1TAAR1MAOA | |
| SCHEMBL1369775 | 0.76 | SIGMAR1 (0.37) | CYP1A2EPHX1TAAR1MAOASLC6A2 | |
| SCHEMBL10793187 | 0.76 | CYP1A2 (0.35) | CYP1A2EPHX1TAAR1MAOASLC6A2 | |
| SCHEMBL1281771 | 0.74 | SMN1; SMN2 (0.40) | — |
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-2003018546-A2 | TRICYCLIC PYRIDIN-2-ONE ANALOGUES AS LIGANDS FOR GABA-A RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2003-03-06 | — | — | WO | disclosed |