Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | PKLR | P30613 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 2/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL24712032 | 0.79 | PKM (0.50) | PTGDR2NPC1PKMPKLRRAB9A | |
| SCHEMBL3921892 | 0.79 | KDM4E (0.58) | PTGDR2NPC1PKMPKLRRAB9A | |
| SCHEMBL8109510 | 0.77 | PKM (0.48) | PTGDR2NPC1PKMPKLRRAB9A | |
| SCHEMBL29177368 | 0.76 | HRH3 (0.61) | TSHRALDH1A1HRH3 | |
| Trifluoroacetic Acid SCHEMBL26699718 | 0.75 | PTGDR2 (0.47) | PTGDR2NPC1PKMPKLRRAB9A | |
| SCHEMBL14040701 | 0.75 | PKM (0.46) | PTGDR2NPC1PKMPKLRRAB9A | |
| SCHEMBL1847833 | 0.74 | PKM (0.56) | NPC1PKMPKLRRAB9AGAA | |
| SCHEMBL28928977 | 0.74 | L3MBTL1 (0.63) | GAAALDH1A1 | |
| SCHEMBL29077595 | 0.73 | KDM4E (0.56) | PKMGAAMEN1KMT2AALDH1A1 | |
| SCHEMBL28663269 | 0.73 | L3MBTL1 (0.62) | NPC1PKMRAB9AKMT2ALMNA |
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-2023226920-A1 | AMINOHETEROARYL KINASE INHIBITORS | ANRUI BIOMEDICAL TECHNOLOGY (GUANGZHOU) CO.,LTD. (CN) | 2023-11-30 | — | — | WO | disclosed |