Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.41 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.35 |
| ▸ | HPGD | P15428 | 5/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| Butylamine SCHEMBL727379 | 0.90 | ERBB2 (0.36) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL188027 | 0.89 | CYP1A2 (0.48) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL1109655 | 0.88 | CYP1A2 (0.47) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL3175611 | 0.88 | CYP1A2 (0.47) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL3175604 | 0.88 | CYP1A2 (0.47) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL10611693 | 0.88 | CYP1A2 (0.47) | CYP1A2ERBB2FYNMAOAACHE | |
| Ammonia Solution, Strong SCHEMBL7751725 | 0.88 | CYP1A2 (0.47) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL88316 | 0.87 | CYP1A2 (0.39) | CYP1A2ERBB2FYNMAOAACHE | |
| Trimethylammonium SCHEMBL87962 | 0.86 | CYP1A2 (0.43) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL88153 | 0.86 | CYP1A2 (0.47) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4705853-B2 | — | — | 2011-06-22 | — | — | JP | claimed |
| EP-1517928-A1 | SUPPORTED HYBRID METALLOCENE CATALYST, METHOD FOR PREPARING THE SAME, AND METHOD FOR PREPARING POLYOLEFIN USING THE SAME | LG Chem, LTD. LG Twin Tower (KR) | 2005-03-30 | — | — | EP | claimed |
| WO-2004087770-A1 | SUPPORTED HYBRID METALLOCENE CATALYST, METHOD FOR PREPARING THE SAME, AND METHOD FOR PREPARING POLYOLEFIN USING THE SAME | LG CHEM LTD. (KR) | 2004-10-14 | — | — | WO | claimed |