Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | IDO1 | P14902 | 2/20 | 0.53 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.51 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.50 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | ATM | Q13315 | 2/20 | 0.49 |
| ▸ | BCHE | P06276 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4779293 | 0.85 | ABCB1 (0.62) | ALDH1A1MEN1KMT2AIDO1ABCB1 | |
| SCHEMBL5710347 | 0.85 | MAPT (0.51) | IDO1L3MBTL1ATMMAPTHPGD | |
| SCHEMBL29036345 | 0.84 | IDO1 (0.55) | ALDH1A1MEN1KMT2ACYP1A2CYP2C19 | |
| SCHEMBL15033480 | 0.84 | NPC1 (0.57) | MEN1KMT2AIDO1ABCB1PARP14 | |
| SCHEMBL15033567 | 0.83 | IDO1 (0.58) | ALDH1A1IDO1ABCB1PARP14PARP10 | |
| SCHEMBL14163906 | 0.81 | ABCB1 (0.54) | MEN1KMT2AIDO1ABCB1PARP14 | |
| SCHEMBL2494662 | 0.81 | MAPT (0.50) | ALDH1A1ABCB1L3MBTL1ATMBCHE | |
| SCHEMBL20085462 | 0.80 | IDO1 (0.50) | CYP3A4CYP2D6IDO1ABCB1PARP14 | |
| SCHEMBL13450812 | 0.80 | IDO1 (0.50) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL21340422 | 0.80 | IDO1 (0.50) | ALDH1A1IDO1ABCB1PARP14PARP10 |
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-107699252-B | Polymeric liquid crystal compound and preparation method and application thereof | 北京八亿时空液晶科技股份有限公司 | 2021-09-07 | — | — | CN | disclosed |