Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VDR | P11473 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | F2 | P00734 | 3/20 | 0.42 |
| ▸ | DHODH | Q02127 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 2/20 | 0.40 |
| ▸ | MMP9 | P14780 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | XBP1 | P17861 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14318137 | 1.00 | VDR (0.52) | VDRTDP1ALDH1A1KDM4EHPGD | |
| SCHEMBL594242 | 0.86 | VDR (0.55) | VDRTDP1ALDH1A1KDM4EHPGD | |
| SCHEMBL10639438 | 0.86 | VDR (0.55) | VDRTDP1ALDH1A1KDM4EHPGD | |
| SCHEMBL4114031 | 0.86 | VDR (0.55) | VDRTDP1ALDH1A1KDM4EHPGD | |
| SCHEMBL10322667 | 0.84 | VDR (0.52) | VDRALDH1A1KDM4EHPGDMAPT | |
| SCHEMBL10322666 | 0.84 | VDR (0.52) | VDRALDH1A1KDM4EHPGDMAPT | |
| SCHEMBL3694647 | 0.78 | HPGD (0.60) | VDRTDP1ALDH1A1KDM4EHPGD | |
| SCHEMBL30225654 | 0.78 | HPGD (0.60) | VDRTDP1ALDH1A1KDM4EHPGD | |
| SCHEMBL6323071 | 0.77 | CA9 (0.43) | VDRALDH1A1KMT2AMEN1LMNA | |
| SCHEMBL17233364 | 0.77 | CA9 (0.43) | VDRALDH1A1KMT2AMEN1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022262671-A1 | MACRO HETEROCYCLIC COMPOUND AND MEDICAL USE THEREOF | 中国医药研究开发中心有限公司 | 2022-12-22 | — | — | WO | disclosed |