Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 5/20 | 0.36 |
| ▸ | TGFBR1 | P36897 | 3/20 | 0.34 |
| ▸ | AHR | P35869 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16613261 | 0.89 | MCL1 (0.40) | MCL1TGFBR1KDM4ENPC1ALDH1A1 | |
| SCHEMBL16613360 | 0.84 | ALDH1A1 (0.39) | KDM4EALDH1A1MAPTHPGDNPSR1 | |
| SCHEMBL16613351 | 0.84 | AHR (0.37) | MCL1TGFBR1AHRKDM4ENPC1 | |
| SCHEMBL16613361 | 0.84 | ALDH1A1 (0.32) | KDM4EALDH1A1MAPTHPGDSMN1; SMN2 | |
| SCHEMBL16613542 | 0.83 | ALDH1A1 (0.38) | KDM4EALDH1A1MAPTHPGDNPSR1 | |
| SCHEMBL16613456 | 0.82 | — | — | |
| SCHEMBL16613422 | 0.81 | MAPT (0.32) | KDM4ENPC1ALDH1A1MAPTHPGD | |
| SCHEMBL16613470 | 0.81 | MCL1 (0.38) | MCL1TGFBR1AHRKDM4ENPC1 | |
| SCHEMBL16613703 | 0.81 | KRAS (0.39) | MCL1TGFBR1AHRKDM4ENPC1 | |
| SCHEMBL16613481 | 0.81 | KDM4E (0.34) | KDM4EALDH1A1MAPTHPGDNPSR1 |
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-2015047058-A1 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME | 주식회사 두산 | 2015-04-02 | — | — | WO | disclosed |