Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCEH1 | Q6PIU2 | 9/20 | 0.69 |
| ▸ | RAB9A | P51151 | 4/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.64 |
| ▸ | NPC1 | O15118 | 2/20 | 0.64 |
| ▸ | MAPT | P10636 | 1/20 | 0.64 |
| ▸ | HTT | P42858 | 3/20 | 0.58 |
| ▸ | HPGD | P15428 | 2/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.50 |
| ▸ | PRNP | P04156 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | CASP1 | P29466 | 1/20 | 0.49 |
| ▸ | CASP7 | P55210 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL19439381 | 0.84 | NCEH1 (0.67) | NCEH1RAB9ASMN1; SMN2NPC1MAPT | |
| SCHEMBL11863351 | 0.83 | NCEH1 (0.65) | NCEH1RAB9ASMN1; SMN2NPC1MAPT | |
| SCHEMBL12199931 | 0.82 | MAPT (0.58) | NCEH1MAPTHTTHPGDCYP1A2 | |
| SCHEMBL10334136 | 0.82 | NCEH1 (0.71) | NCEH1RAB9ASMN1; SMN2NPC1MAPT | |
| SCHEMBL30710587 | 0.82 | MAPT (0.58) | NCEH1MAPTHTTHPGDCYP1A2 | |
| SCHEMBL830202 | 0.82 | NCEH1 (1.00) | NCEH1RAB9ASMN1; SMN2NPC1MAPT | |
| SCHEMBL10379955 | 0.81 | NCEH1 (0.63) | NCEH1RAB9ASMN1; SMN2NPC1MAPT | |
| SCHEMBL17086902 | 0.81 | CFD (0.48) | NCEH1RAB9ASMN1; SMN2NPC1MAPT | |
| SCHEMBL9488962 | 0.81 | HTT (0.54) | NCEH1MAPTHTTHPGDLMNA | |
| SCHEMBL9683874 | 0.81 | NCEH1 (0.51) | NCEH1RAB9ASMN1; SMN2NPC1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-104884572-A | Material for electronic devices | MERCK PATENT GMBH | 2015-09-02 | — | — | CN | disclosed |
| CN-104684886-A | Compounds for Electronic Devices | MERCK PATENT GMBH | 2015-06-03 | — | — | CN | disclosed |
| CN-1292697-A | Anti-viral compound | LILLY CO ELI (US) | 2001-04-25 | — | — | CN | disclosed |