Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | ACHE | P22303 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.43 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.43 |
| ▸ | FYN | P06241 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | AHR | P35869 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL20788840 | 0.93 | ALDH1A1 (0.48) | ALDH1A1CYP1A2HSD17B10HPGDACHE | |
| SCHEMBL30879493 | 0.91 | ALDH1A1 (0.50) | ALDH1A1CYP1A2HSD17B10HPGDACHE | |
| SCHEMBL25508 | 0.91 | ALDH1A1 (0.50) | ALDH1A1CYP1A2HSD17B10HPGDACHE | |
| SCHEMBL4846620 | 0.82 | ALDH1A1 (0.57) | ALDH1A1CYP1A2HSD17B10HPGDACHE | |
| Fluoranthene SCHEMBL22493008 | 0.81 | ALDH1A1 (0.59) | ALDH1A1CYP1A2HSD17B10HPGDACHE | |
| SCHEMBL4853146 | 0.81 | ALDH1A1 (0.51) | ALDH1A1CYP1A2HSD17B10HPGDACHE | |
| SCHEMBL4853451 | 0.78 | CYP1A2 (0.41) | ALDH1A1CYP1A2HSD17B10HPGDACHE | |
| SCHEMBL17439395 | 0.76 | ALDH1A1 (0.44) | ALDH1A1CYP1A2HSD17B10HPGDACHE | |
| SCHEMBL4855642 | 0.76 | CYP1A2 (0.40) | ALDH1A1CYP1A2HSD17B10HPGDACHE | |
| SCHEMBL4851870 | 0.76 | HPRT1 (0.52) | ALDH1A1CYP1A2HSD17B10HPGDACHE |
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-2242498-A2 | SYNERGISTIC ANTIPARASITIC COMPOSITIONS AND SCREENING METHODS | Tyratech, Inc. (US) | 2010-10-27 | — | — | EP | disclosed |
| WO-2009086471-A2 | SYNERGISTIC ANTIPARASITIC COMPOSITIONS AND SCREENING METHODS | TYRATECH, INC. (US) | 2009-07-09 | — | — | WO | disclosed |