Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 1/20 | 0.40 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.39 |
| ▸ | GRM5 | P41594 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MET | P08581 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 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 | |
|---|---|---|---|---|
| SCHEMBL21023099 | 0.79 | RXRA (0.40) | TGFBR1GRM5CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL16631405 | 0.79 | CTSS (0.41) | TRPM8GRM5CYP1A2CYP2D6CYP19A1 | |
| SCHEMBL15137740 | 0.78 | GRM5 (0.48) | TGFBR1GRM5CYP1A2CYP2D6CYP19A1 | |
| SCHEMBL15989834 | 0.78 | TGFBR1 (0.42) | TGFBR1CYP1A2METLMNANPC1 | |
| SCHEMBL14979428 | 0.77 | TGFBR1 (0.39) | TGFBR1CYP1A2METLMNACTSL | |
| SCHEMBL13799171 | 0.76 | CTSL (0.44) | TGFBR1GRM5CYP1A2LMNACTSL | |
| SCHEMBL12164836 | 0.74 | NPC1 (0.44) | TRPM8GRM5CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL1102459 | 0.73 | KDM4E (0.48) | TGFBR1GRM5CYP1A2CYP2D6CYP19A1 | |
| SCHEMBL25395410 | 0.73 | KDM1A (0.43) | TRPM8GRM5CYP1A2LMNANPC1 | |
| SCHEMBL17563605 | 0.73 | TGFBR1 (0.43) | TGFBR1CYP1A2CYP2D6CYP19A1CYP2C9 |
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-2015050391-A1 | AN ORGANIC ELECTROLUMINESCENT COMPOUND AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2015-04-09 | — | — | WO | disclosed |