Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.47 |
| ▸ | MAOA | P21397 | 2/20 | 0.47 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.47 |
| ▸ | FYN | P06241 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | AHR | P35869 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | HPGD | P15428 | 5/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 3/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29589319 | 0.89 | CYP1A2 (0.57) | CYP1A2MAOAERBB2FYNACHE | |
| SCHEMBL2047161 | 0.89 | CYP1A2 (0.57) | CYP1A2MAOAERBB2FYNACHE | |
| SCHEMBL22170103 | 0.81 | CYP1A2 (0.53) | CYP1A2MAOAERBB2FYNACHE | |
| SCHEMBL29390075 | 0.80 | CYP1A2 (0.61) | CYP1A2MAOAERBB2FYNACHE | |
| SCHEMBL1760714 | 0.80 | CYP1A2 (0.61) | CYP1A2MAOAERBB2FYNACHE | |
| SCHEMBL8041872 | 0.79 | CYP1A2 (0.44) | CYP1A2MAOAERBB2FYNACHE | |
| SCHEMBL4540277 | 0.78 | ALDH1A1 (0.59) | CYP1A2MAOAERBB2FYNACHE | |
| SCHEMBL28572451 | 0.78 | HPGD (0.53) | CYP1A2MAOAERBB2FYNACHE | |
| SCHEMBL28185455 | 0.77 | CYP1A2 (0.48) | CYP1A2MAOAERBB2FYNACHE | |
| SCHEMBL28325892 | 0.76 | CYP1A2 (0.58) | CYP1A2MAOAERBB2FYNACHE |
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-5106407-A | Algicides, funcilides, bactericides | THE DOW CHEMICAL COMPANY (US) | 1992-04-21 | — | — | US | disclosed |