Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 2/20 | 0.35 |
| ▸ | PTPRC | P08575 | 1/20 | 0.35 |
| ▸ | PTPRF | P10586 | 1/20 | 0.35 |
| ▸ | CDC25B | P30305 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.32 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.32 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10898473 | 0.68 | CYP1A2 (0.42) | CYP1B1L3MBTL1ALDH1A1HPGDTSHR | |
| SCHEMBL4645332 | 0.64 | CYP1B1 (0.43) | CYP1B1L3MBTL1ALDH1A1HPGDHIF1A | |
| SCHEMBL14620260 | 0.63 | CYP1B1 (0.39) | PTPN1PTPRCPTPRFCDC25BCYP1B1 | |
| SCHEMBL1325895 | 0.63 | ALDH1A1 (0.41) | CYP1B1L3MBTL1ALDH1A1HPGDTSHR | |
| SCHEMBL7905250 | 0.62 | ALDH1A1 (0.60) | CYP1B1L3MBTL1ALDH1A1HPGDTSHR | |
| SCHEMBL29637136 | 0.62 | ALDH1A1 (0.60) | CYP1B1L3MBTL1ALDH1A1HPGDTSHR | |
| SCHEMBL6617336 | 0.60 | ALDH1A1 (0.48) | CYP1B1ALDH1A1TSHRHIF1AHSD17B10 | |
| SCHEMBL31672133 | 0.60 | ALDH1A1 (0.48) | CYP1B1ALDH1A1TSHRHIF1AHSD17B10 | |
| SCHEMBL27460763 | 0.60 | ALDH1A1 (0.48) | CYP1B1ALDH1A1HPGDTSHRHIF1A | |
| SCHEMBL28264907 | 0.60 | TDP1 (0.49) | CYP1B1L3MBTL1ALDH1A1HIF1AHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006102620-A2 | TWISTED π-ELECTRON SYSTEM CHROMOPHORE COMPOUNDS WITH VERY LARGE MOLECULAR HYPERPOLARIZABILITIES AND RELATED COMPOSITIONS AND DEVICES | NORTHWESTERN UNIVERSITY (US) | 2006-09-28 | — | — | WO | disclosed |