Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | APAF1 | O14727 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | XBP1 | P17861 | 1/20 | 0.40 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | GALK1 | P51570 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12551788 | 0.82 | MGLL (0.50) | ESR2MGLLCA1CA2LMNA | |
| SCHEMBL28365799 | 0.79 | MIF (0.44) | ESR2PLA2G7 | |
| SCHEMBL22703498 | 0.78 | CYP2A6 (0.44) | CYP2A6LMNAKMT2ANPC1RAB9A | |
| SCHEMBL38664053 | 0.77 | ESR2 (0.57) | ESR2MGLLCA1CA2LMNA | |
| SCHEMBL28943555 | 0.77 | ESR2 (0.57) | ESR2MGLLCA1CA2LMNA | |
| SCHEMBL30504305 | 0.75 | KMT2A (0.45) | CYP2A6CA1CA2LMNAKMT2A | |
| SCHEMBL22950467 | 0.75 | KMT2A (0.45) | CYP2A6CA1CA2LMNAKMT2A | |
| SCHEMBL31677422 | 0.75 | CYP2A6 (0.59) | CYP2A6ESR2SLC6A9LMNAKMT2A | |
| SCHEMBL19785384 | 0.73 | ESR2 (0.61) | CYP2A6ESR2LMNAKMT2AL3MBTL1 | |
| SCHEMBL28019541 | 0.73 | NOTUM (0.50) | MGLLCA1CA2LMNAKMT2A |
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-110903281-A | Organic compound and application thereof | 烟台显华化工科技有限公司 | 2020-03-24 | — | — | CN | disclosed |