Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 4/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 2/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.32 |
| ▸ | CRHBP | P24387 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.32 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28880724 | 0.71 | PDK2 (0.40) | LMNAMEN1KMT2ATSHRACHE | |
| SCHEMBL15416101 | 0.67 | NPSR1 (0.41) | ALDH1A1LMNAHSD17B10MEN1KMT2A | |
| SCHEMBL29683228 | 0.66 | PDK2 (0.37) | MEN1KMT2ATSHRACHEPDK2 | |
| SCHEMBL942269 | 0.66 | PDK2 (0.37) | MEN1KMT2ATSHRACHEPDK2 | |
| SCHEMBL15428159 | 0.62 | HTR5A (0.35) | PDK2PDK4 | |
| SCHEMBL10335135 | 0.60 | NOTUM (0.40) | HSD17B10MEN1KMT2ASMN1; SMN2PDK2 | |
| SCHEMBL26543952 | 0.60 | PDK2 (0.36) | ALDH1A1PDK2PDK4TDP1 | |
| Nitrobenzene SCHEMBL27684754 | 0.60 | ALDH1A1 (0.89) | ALDH1A1LMNAHSD17B10MEN1KMT2A | |
| SCHEMBL24338265 | 0.59 | PDK2 (0.40) | LMNAMEN1KMT2ATSHRACHE | |
| SCHEMBL1627657 | 0.59 | HTR2A (0.48) | LMNAKMT2ATSHRACHEPDK2 |
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-105980519-A | METAL COMPLEXES | 默克专利有限公司 | 2016-09-28 | — | — | CN | disclosed |