Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 8/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9958037 | 0.84 | CYP2A6 (0.52) | CYP2A6CYP3A4ALDH1A1CYP1A2TP53 | |
| SCHEMBL9958408 | 0.79 | CYP2A6 (0.47) | CYP2A6CYP3A4ALDH1A1CYP1A2TP53 | |
| SCHEMBL28594337 | 0.79 | CYP2A6 (0.47) | CYP2A6CYP3A4ALDH1A1CYP1A2TP53 | |
| SCHEMBL1691864 | 0.79 | CYP2A6 (0.47) | CYP2A6CYP3A4ALDH1A1CYP1A2TP53 | |
| SCHEMBL7953808 | 0.79 | CYP2A6 (0.47) | CYP2A6CYP3A4ALDH1A1CYP1A2TP53 | |
| SCHEMBL28038295 | 0.78 | MAPT (0.39) | CYP2A6CYP3A4ALDH1A1CYP1A2TP53 | |
| SCHEMBL16720501 | 0.77 | CYP2A6 (0.48) | CYP2A6CYP3A4ALDH1A1CYP1A2TP53 | |
| SCHEMBL15949704 | 0.76 | CYP2A6 (0.51) | CYP2A6CYP3A4ALDH1A1CYP1A2TP53 | |
| SCHEMBL2841879 | 0.76 | TP53 (0.65) | CYP2A6CYP3A4ALDH1A1CYP1A2TP53 | |
| SCHEMBL31232584 | 0.76 | TP53 (0.65) | CYP2A6CYP3A4ALDH1A1CYP1A2TP53 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105143198-A | Novel naphthotriazole derivative and organic electroluminescence element | HODOGAYA CHEMICAL CO LTD | 2015-12-09 | — | — | CN | disclosed |