Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC1 | P19801 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.35 |
| ▸ | CYP2E1 | P05181 | 4/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 4/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.33 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29607726 | 0.80 | PDPK1 (0.32) | — | |
| SCHEMBL4553675 | 0.76 | KDM4E (0.34) | — | |
| SCHEMBL29402652 | 0.76 | KDM4E (0.34) | — | |
| SCHEMBL887848 | 0.71 | PIK3CD (0.36) | AOC1CYP2A6CYP2E1CYP2B6CYP2C19 | |
| SCHEMBL1321549 | 0.69 | RET (0.52) | CYP3A4 | |
| SCHEMBL31001140 | 0.69 | RET (0.52) | CYP3A4 | |
| SCHEMBL3986884 | 0.67 | RET (0.36) | — | |
| SCHEMBL5705726 | 0.66 | RET (0.35) | — | |
| SCHEMBL2619222 | 0.66 | PDPK1 (0.36) | CYP1A2CYP3A4 | |
| SCHEMBL1128927 | 0.66 | RPS6KA5 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3230467-A1 | METHODS AND COMPOSITIONS FOR DETECTING ANTIBIOTIC RESISTANT BACTERIA | ELITechGroup B.V. (NL) | 2017-10-18 | — | — | EP | disclosed |
| WO-2016094162-A1 | METHODS AND COMPOSITIONS FOR DETECTING ANTIBIOTIC RESISTANT BACTERIA | ELITECHGROUP B.V. (NL) | 2016-06-16 | — | — | WO | disclosed |