Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4843211 | 0.76 | PDPK1 (0.36) | — | |
| SCHEMBL7976143 | 0.76 | HASPIN (0.34) | CYP1A2MAPT | |
| SCHEMBL1071858 | 0.72 | CYP1A2 (0.46) | CYP1A2CYP2A6 | |
| SCHEMBL1260006 | 0.71 | LMNA (0.36) | CYP1A2MAPTNPSR1L3MBTL1 | |
| SCHEMBL2889003 | 0.71 | CYP1A2 (0.50) | CYP1A2CYP2A6 | |
| SCHEMBL20483 | 0.69 | EGFR (0.47) | — | |
| SCHEMBL26266 | 0.68 | KDM4E (0.50) | CYP1A2CYP2A6MAPT | |
| SCHEMBL27643307 | 0.68 | CYP1A2 (0.42) | CYP1A2 | |
| SCHEMBL1450435 | 0.67 | CYP1A2 (0.53) | CYP1A2CYP2A6 | |
| SCHEMBL7972525 | 0.67 | CYP1A2 (0.41) | CYP1A2CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| US-6268514-B1 | TREATING INDUSTRIAL MATERIALS WITH NITROETHANE COMPOUND FOR PROTECTING AGAINST ATTACK AND DESTRUCTION BY MICROORGANISMS | BASF AKTIENGESELLSCHAFT (DE) | 2001-07-31 | — | — | US | disclosed |