Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | ALPI | P09923 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | XIAP | P98170 | 1/20 | 0.50 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.50 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.48 |
| ▸ | CPA1 | P15085 | 2/20 | 0.47 |
| ▸ | CPA3 | P15088 | 2/20 | 0.47 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.47 |
| ▸ | CPB1 | P15086 | 1/20 | 0.47 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.46 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.46 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL29767943 | 0.98 | CYP1A2 (0.52) | CYP1A2ALPIPKMPTGS1XIAP | |
| SCHEMBL7773534 | 0.83 | ALPI (0.52) | CYP1A2ALPIPKMPTGS1XIAP | |
| SCHEMBL57558 | 0.82 | CYP1A2 (0.64) | CYP1A2ALPIPKMPTGS1XIAP | |
| SCHEMBL180366 | 0.82 | CYP1A2 (0.64) | CYP1A2ALPIPKMPTGS1XIAP | |
| SCHEMBL197252 | 0.82 | CYP1A2 (0.64) | CYP1A2ALPIPKMPTGS1XIAP | |
| SCHEMBL8953468 | 0.82 | CYP1A2 (0.64) | CYP1A2ALPIPKMPTGS1XIAP | |
| SCHEMBL9578908 | 0.82 | CYP1A2 (0.58) | CYP1A2ALPIPKMPTGS1XIAP | |
| Hydrochloric Acid SCHEMBL1374834 | 0.80 | CYP1A2 (0.61) | CYP1A2ALPIPKMPTGS1XIAP | |
| Hydrochloric Acid SCHEMBL1374832 | 0.80 | CYP1A2 (0.61) | CYP1A2ALPIPKMPTGS1XIAP | |
| SCHEMBL5800210 | 0.80 | CYP1A2 (0.61) | CYP1A2ALPIPKMPTGS1XIAP |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1984001154-A1 | METHOD AND MATERIALS FOR THE MICROBIOLOGICAL OXIDATION OF AROMATIC HYDROCARBONS | AMGEN (US) | 1984-03-29 | — | — | WO | disclosed |
| EP-0103887-A2 | Method and materials for the microbiological oxidation of aromatic hydrocarbons | AMGEN INC. (US) | 1984-03-28 | — | — | EP | disclosed |