Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.35 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | CTSG | P08311 | 1/20 | 0.35 |
| ▸ | CMA1 | P23946 | 1/20 | 0.35 |
| ▸ | CTRC | Q99895 | 1/20 | 0.35 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL17940683 | 0.84 | HCAR1 (0.37) | CYP2A6HSP90AA1ALDH1A1HCAR1CYP11B2 | |
| SCHEMBL4003442 | 0.82 | ALDH1A1 (0.39) | ALDH1A1CYP3A4CYP2D6CYP2C9CYP11B2 | |
| SCHEMBL27981339 | 0.82 | HSD17B10 (0.42) | HSP90AA1HSP90AB1ALDH1A1F2CYP11B2 | |
| SCHEMBL4836447 | 0.82 | ALDH1A1 (0.41) | HSP90AA1HSP90AB1ALDH1A1HCAR1CYP11B2 | |
| SCHEMBL7563960 | 0.81 | ATM (0.53) | CYP2A6HSP90AA1HSP90AB1ALDH1A1CYP3A4 | |
| SCHEMBL14167337 | 0.81 | CYP11B1 (0.41) | ALDH1A1CYP3A4CYP2D6CYP2C9CYP11B2 | |
| SCHEMBL17940712 | 0.80 | MAPK14 (0.49) | HSP90AA1ALDH1A1NPC1RAB9AXDH | |
| SCHEMBL16099492 | 0.78 | CYP11B2 (0.58) | CYP11B2CYP11B1 | |
| SCHEMBL10589324 | 0.77 | ALDH1A1 (0.46) | ALDH1A1MEN1NPC1RAB9AKMT2A | |
| SCHEMBL28073056 | 0.72 | HSP90AA1 (0.43) | HSP90AA1HSP90AB1ALDH1A1HCAR1CYP11B2 |
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-105820122-A | Organic electroluminescent material and device | 环球展览公司 | 2016-08-03 | — | — | CN | disclosed |