Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | MEN1 | O00255 | 4/20 | 0.59 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.59 |
| ▸ | HTT | P42858 | 2/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.59 |
| ▸ | MITF | O75030 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | CES2 | O00748 | 1/20 | 0.54 |
| ▸ | CES1 | P23141 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.52 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | KMO | O15229 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL6607552 | 0.81 | ALDH1A1 (0.67) | KMT2AALDH1A1MEN1HSP90AA1MAPT | |
| SCHEMBL568615 | 0.78 | ALDH1A1 (0.63) | KMT2AALDH1A1MEN1HTTSMN1; SMN2 | |
| SCHEMBL211017 | 0.77 | ALDH1A1 (0.67) | KMT2AALDH1A1MEN1HSP90AA1MAPT | |
| Butane SCHEMBL27774502 | 0.76 | TP53 (0.83) | KMT2AALDH1A1MEN1HSP90AA1MAPT | |
| SCHEMBL9861029 | 0.75 | CES1 (0.44) | KMT2AALDH1A1MEN1HSP90AA1MAPT | |
| SCHEMBL17602720 | 0.74 | ALDH1A1 (0.51) | KMT2AALDH1A1MEN1HSP90AA1MAPT | |
| SCHEMBL30725444 | 0.74 | CES2 (0.66) | KMT2AALDH1A1MEN1HSP90AA1MAPT | |
| SCHEMBL29128742 | 0.74 | CES2 (0.66) | KMT2AALDH1A1MEN1HSP90AA1MAPT | |
| SCHEMBL5150143 | 0.74 | CES2 (0.66) | KMT2AALDH1A1MEN1HSP90AA1MAPT | |
| SCHEMBL1986403 | 0.74 | CES2 (0.70) | KMT2AALDH1A1MEN1HSP90AA1MAPT |
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-113692276-A | NURR1 receptor modulators | 加利福尼亚大学董事会 | 2021-11-23 | — | — | CN | disclosed |