Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.49 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 6/20 | 0.48 |
| ▸ | CA2 | P00918 | 6/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL31393785 | 0.92 | KMT2A (0.66) | POLBMEN1TSHRKMT2AALDH1A1 | |
| SCHEMBL10160616 | 0.88 | KMT2A (0.60) | POLBMEN1TSHRKMT2ACES2 | |
| SCHEMBL12037062 | 0.88 | KMT2A (0.56) | POLBMEN1TSHRKMT2AALDH1A1 | |
| SCHEMBL28904603 | 0.83 | CA1 (0.48) | POLBMEN1TSHRKMT2AALDH1A1 | |
| SCHEMBL2113106 | 0.83 | CES2 (0.47) | POLBMEN1TSHRKMT2AALDH1A1 | |
| SCHEMBL8057301 | 0.83 | CES2 (0.50) | POLBALDH1A1HTTCES2CES1 | |
| SCHEMBL4601283 | 0.83 | CA1 (0.54) | MEN1TSHRKMT2ACES2CES1 | |
| SCHEMBL3278204 | 0.81 | KDM4E (0.56) | POLBALDH1A1HTTCES2CES1 | |
| SCHEMBL3470955 | 0.81 | CA1 (0.55) | CES2CES1MAPTNPC1RAB9A | |
| SCHEMBL11540415 | 0.81 | CES2 (0.48) | POLBTSHRALDH1A1CES2CES1 |
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-110382458-A | Enamine compound and application thereof | 国立研究开发法人科学技术振兴机构 | 2019-10-25 | — | — | CN | disclosed |