Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | USP5 | P45974 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | MITF | O75030 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ESRRG | P62508 | 1/20 | 0.36 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | RXRA | P19793 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11263134 | 1.00 | TYR (0.47) | TYRHTTCYP2C9USP5SMN1; SMN2 | |
| SCHEMBL28221243 | 0.82 | NR4A1 (0.33) | TYR | |
| SCHEMBL28288584 | 0.82 | TSHR (0.44) | CYP2C9SMN1; SMN2ALDH1A1MEN1KMT2A | |
| SCHEMBL9510835 | 0.79 | PTGS1 (0.47) | HTTCYP2C9SMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL9510836 | 0.79 | PTGS1 (0.47) | HTTCYP2C9SMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL28189864 | 0.79 | PTGS1 (0.47) | HTTCYP2C9SMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL28305276 | 0.79 | HTT (0.50) | TYRHTTCYP2C9USP5SMN1; SMN2 | |
| SCHEMBL13492670 | 0.78 | HTT (0.42) | TYRHTTCYP2C9USP5SMN1; SMN2 | |
| SCHEMBL9609532 | 0.77 | ALDH1A1 (0.46) | HTTSMN1; SMN2ALDH1A1MEN1KMT2A | |
| SCHEMBL11649733 | 0.77 | ALDH1A1 (0.46) | HTTSMN1; SMN2ALDH1A1MEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112321544-B | Chiral quaternary carbon cyanide and preparation method thereof | 深圳湾实验室坪山生物医药研发转化中心 | 2023-05-26 | — | — | CN | disclosed |
| CN-112321544-A | Chiral quaternary carbon cyanide and preparation method thereof | 深圳湾实验室坪山生物医药研发转化中心 | 2021-02-05 | — | — | CN | disclosed |