Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9475840 | 0.76 | APEX1 (0.38) | KMT2ACYP2D6CYP2C19POLBCYP2C9 | |
| SCHEMBL10369973 | 0.64 | POLB (0.35) | KMT2APOLBMEN1KDM4EHPGD | |
| SCHEMBL16649247 | 0.62 | HTT (0.32) | KMT2AL3MBTL1GAAHTTSMN1; SMN2 | |
| SCHEMBL9094582 | 0.62 | ALDH1A1 (0.40) | KMT2AMEN1KDM4EHSD17B10HPGD | |
| SCHEMBL11069254 | 0.61 | CA12 (0.53) | KMT2ACYP2D6CYP2C19POLBCYP2C9 | |
| SCHEMBL4494789 | 0.61 | KDM4E (0.69) | KMT2APOLBMEN1L3MBTL1KDM4E | |
| SCHEMBL6841570 | 0.61 | HSD17B10 (0.31) | HSD17B10 | |
| SCHEMBL7666611 | 0.60 | SIGMAR1 (0.31) | POLBHPGDTSHR | |
| SCHEMBL31497105 | 0.59 | ALDH1A1 (0.47) | HSD17B10ALDH1A1LMNAHTTCYP1A2 | |
| SCHEMBL9069206 | 0.58 | MAOA (0.39) | PTGS2HPGDALDH1A1LMNAGAA |
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-117367901-A | In-situ derivatization of cholesterol in tissue sections and MALDI mass spectrometry imaging method and application thereof | 中国科学院大连化学物理研究所 | 2024-01-09 | — | — | CN | disclosed |