Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | SRD5A1 | P18405 | 5/20 | 0.35 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL21257763 | 0.81 | ALDH1A1 (0.36) | SRD5A1ALDH1A1 | |
| SCHEMBL21257759 | 0.72 | SLC6A2 (0.40) | NOTUMSRD5A1KMT2AALDH1A1 | |
| SCHEMBL21257764 | 0.72 | CYP3A4 (0.38) | BCL2A1MAPTLMNA | |
| SCHEMBL2056191 | 0.72 | POLB (0.43) | HSD17B3POLBALDH1A1LMNATP53 | |
| SCHEMBL29991500 | 0.72 | POLB (0.43) | HSD17B3POLBALDH1A1LMNATP53 | |
| SCHEMBL21257761 | 0.69 | CYP3A4 (0.40) | BCL2A1MAPTLMNATSHR | |
| SCHEMBL1925736 | 0.68 | OPRK1 (0.55) | NOTUMOPRK1PDE4DPOLBAADAT | |
| SCHEMBL5917491 | 0.68 | AADAT (0.45) | NOTUMAADATSRD5A1KMT2AALDH1A1 | |
| SCHEMBL11263558 | 0.67 | SRD5A1 (0.55) | NOTUMHSD17B3OPRK1PDE4DMAPT | |
| SCHEMBL11869179 | 0.66 | DRD2 (0.43) | POLBAADATALDH1A1 |
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-2019154261-A1 | PYRIDINE DERIVATIVE RELATED TO KMD5 PATHWAY | 南京明德新药研发股份有限公司 | 2019-08-15 | — | — | WO | disclosed |