Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.55 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.55 |
| ▸ | FYN | P06241 | 1/20 | 0.55 |
| ▸ | MAOA | P21397 | 1/20 | 0.55 |
| ▸ | ACHE | P22303 | 1/20 | 0.55 |
| ▸ | AHR | P35869 | 1/20 | 0.55 |
| ▸ | CDK2 | P24941 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.50 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.50 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.50 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.50 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 6/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6576411 | 0.85 | CYP1A2 (0.55) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL1229467 | 0.80 | CYP1A2 (0.53) | CYP1A2ERBB2FYNMAOAACHE | |
| Pyrene SCHEMBL28151585 | 0.80 | CYP1A2 (0.53) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL29831525 | 0.80 | CYP1A2 (0.53) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL29362339 | 0.79 | HPGD (0.55) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL4850538 | 0.79 | CYP1A2 (0.68) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL218996 | 0.79 | HPGD (0.55) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL29571791 | 0.79 | HPGD (0.55) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL23062728 | 0.78 | CYP1A2 (0.52) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL15477096 | 0.78 | PTPN22 (0.52) | CYP1A2ERBB2FYNMAOAACHE |
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-2012116013-A2 | SILICA ENCAPSULATED BIOMATERIALS | WACKETT LAWRENCE P (US) | 2012-08-30 | — | — | WO | disclosed |