Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | BBOX1 | O75936 | 4/20 | 0.39 |
| ▸ | EHMT2 | Q96KQ7 | 3/20 | 0.39 |
| ▸ | EHMT1 | Q9H9B1 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 5/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10944675 | 0.84 | CYP3A4 (0.53) | CYP3A4ALOX15SMN1; SMN2CASP1CASP7 | |
| SCHEMBL5887824 | 0.81 | BBOX1 (0.50) | ALOX15CASP1BBOX1EHMT2EHMT1 | |
| SCHEMBL1653476 | 0.78 | BBOX1 (0.57) | CYP3A4ALOX15SMN1; SMN2CASP1CASP7 | |
| SCHEMBL6675019 | 0.78 | ALDH1A1 (0.45) | CYP3A4ALDH1A1MAOAMEN1MAPT | |
| SCHEMBL30958569 | 0.74 | BBOX1 (0.43) | BBOX1EHMT2EHMT1ALDH1A1MEN1 | |
| SCHEMBL5885096 | 0.73 | CYP3A4 (0.53) | CYP3A4ALOX15SMN1; SMN2CASP1CASP7 | |
| SCHEMBL30207076 | 0.73 | CYP3A4 (0.53) | CYP3A4ALOX15SMN1; SMN2CASP1CASP7 | |
| SCHEMBL29006150 | 0.72 | BBOX1 (0.43) | BBOX1EHMT2EHMT1ALDH1A1GAA | |
| SCHEMBL150725 | 0.71 | BBOX1 (0.60) | ALOX15SMN1; SMN2CASP1BBOX1EHMT2 | |
| SCHEMBL6679292 | 0.71 | ALDH1A1 (0.46) | CYP3A4SMN1; SMN2ALDH1A1MEN1MAPT |
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-7112697-B1 | Methods for formation of aryl-sulfur and aryl-selenium compounds using copper(I) catalysts | UNIVERSITY OF MASSACHUSETTS (US) | 2006-09-26 | — | — | US | disclosed |