Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL21620323 | 0.83 | MAPT (0.40) | MAPTCYP1A2CYP3A4CYP2C9ALOX12 | |
| SCHEMBL8570901 | 0.79 | CYP2C9 (0.44) | MAPTCYP1A2CYP3A4CYP2C9ALOX12 | |
| SCHEMBL8570905 | 0.79 | CYP2C9 (0.44) | MAPTCYP1A2CYP3A4CYP2C9ALOX12 | |
| SCHEMBL11786885 | 0.79 | CYP2C9 (0.44) | MAPTCYP1A2CYP3A4CYP2C9ALOX12 | |
| SCHEMBL21620362 | 0.79 | MAPT (0.36) | MAPTCYP1A2CYP3A4CYP2C9ALOX12 | |
| SCHEMBL7463642 | 0.76 | MAPT (0.35) | MAPTCYP1A2CYP3A4CYP2C9ALOX12 | |
| SCHEMBL7463639 | 0.76 | MAPT (0.35) | MAPTCYP1A2CYP3A4CYP2C9ALOX12 | |
| SCHEMBL21620310 | 0.72 | — | — | |
| SCHEMBL9429335 | 0.72 | — | — | |
| SCHEMBL8569989 | 0.72 | — | — |
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-2020010988-A1 | METHOD FOR PREPARING PROPANEDINITRILE OXIME ETHER COMPOUND AND INTERMEDIATE COMPOUND | 沈阳中化农药化工研发有限公司 | 2020-01-16 | — | — | WO | disclosed |
| US-9982188-B2 | Near-infrared emitters | Missouri State University (US) | 2018-05-29 | — | — | US | disclosed |