Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.43 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.43 |
| ▸ | FYN | P06241 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | AHR | P35869 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1685061 | 0.83 | GABRA1 (0.45) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL7091807 | 0.83 | IMPDH2 (0.43) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL8724012 | 0.82 | CYP1A2 (0.49) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL728402 | 0.81 | KMT2A (0.47) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL16487364 | 0.79 | CYP1A2 (0.42) | CYP1A2ERBB2FYNMAOAACHE | |
| Phosphonic Acid SCHEMBL27824147 | 0.77 | CYP1A2 (0.37) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL28831011 | 0.77 | ALDH1A1 (0.45) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL2127180 | 0.73 | KDM4E (0.50) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL29106755 | 0.73 | GABRA1 (0.45) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL4338851 | 0.73 | MEN1 (0.37) | CYP1A2ALDH1A1HPGDHSD17B10CYP3A4 |
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-1731548-B1 | Use of fluorescent polysiloxanes in chemical sensors for detection or dosage of nitrated compounds | COMMISSARIAT ENERGIE ATOMIQUE (FR) | 2009-03-11 | — | — | EP | disclosed |
| EP-1731548-A1 | Use of fluorescent polysiloxanes in chemical sensors for detection or dosage of nitrated compounds | COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) | 2006-12-13 | — | — | EP | disclosed |