Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPRT1 | P00492 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL462137 | 0.90 | HPRT1 (0.47) | HPRT1CYP1A2CYP2A6MAOAL3MBTL1 | |
| SCHEMBL16716223 | 0.88 | GAA (0.36) | CYP1A2CYP2D6GAACYP2A6SLC6A2 | |
| SCHEMBL14069675 | 0.85 | SIGMAR1 (0.43) | CYP1A2CYP2D6GAACYP2A6SLC6A2 | |
| SCHEMBL21348037 | 0.85 | SIGMAR1 (0.43) | CYP1A2CYP2D6GAACYP2A6SLC6A2 | |
| P-Cymene SCHEMBL10828913 | 0.84 | HPRT1 (0.54) | HPRT1CYP1A2GAACYP2A6SLC6A2 | |
| P-Cymene SCHEMBL10999791 | 0.84 | HPRT1 (0.54) | HPRT1CYP1A2GAACYP2A6SLC6A2 | |
| SCHEMBL13338895 | 0.83 | SIGMAR1 (0.44) | CYP1A2CYP2D6GAASLC6A2SLC6A4 | |
| SCHEMBL17917232 | 0.83 | CRHR1 (0.33) | CRHR1CNR2CNR1 | |
| SCHEMBL13338853 | 0.82 | SIGMAR1 (0.43) | CYP1A2CYP2D6GAACYP2A6SLC6A2 | |
| SCHEMBL1155625 | 0.81 | CNR2 (0.36) | CRHR1CNR2HTTNPSR1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1860096-A1 | AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE UTILIZING THE SAME | Idemitsu Kosan Co., Ltd. (JP) | 2007-11-28 | — | — | EP | disclosed |