Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | XBP1 | P17861 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12466215 | 0.78 | ALDH1A1 (0.47) | ALDH1A1MAPTHSD17B10GAARAB9A | |
| SCHEMBL12465845 | 0.78 | ALAD (0.52) | ALDH1A1MAPTMAPK1LTA4HSMN1; SMN2 | |
| SCHEMBL12960188 | 0.78 | HSD17B10 (0.47) | ALDH1A1MAPTTSHRHSD17B10LTA4H | |
| SCHEMBL2897323 | 0.77 | ALDH1A1 (0.45) | ALDH1A1MAPTHSD17B10SMN1; SMN2LMNA | |
| SCHEMBL14198883 | 0.77 | ALDH1A1 (0.41) | ALDH1A1MAPTHSD17B10LTA4HACHE | |
| SCHEMBL3258545 | 0.76 | MAPT (0.50) | ALDH1A1MAPTMAPK1TSHRHSD17B10 | |
| SCHEMBL14227569 | 0.74 | RAB9A (0.37) | ALDH1A1MAPTHSD17B10LTA4HACHE | |
| SCHEMBL14817169 | 0.71 | TSHR (0.38) | ALDH1A1MAPTTSHRHSD17B10ACHE | |
| SCHEMBL2321226 | 0.71 | PGR (0.49) | ALDH1A1MAPTHSD17B10LTA4HSMN1; SMN2 | |
| SCHEMBL4533683 | 0.71 | AHR (0.56) | ALDH1A1MAPTMAPK1TSHRHSD17B10 |
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-109776537-A | Purinedione as WNT pathway modulators | 新加坡科技研究局 | 2019-05-21 | — | — | CN | disclosed |
| CN-105452248-A | Purine diones as WNT pathway modulators | AGENCY SCIENCE TECH & RES | 2016-03-30 | — | — | CN | disclosed |