Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.33 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.31 |
| ▸ | MTOR | P42345 | 1/20 | 0.31 |
| ▸ | ATR | Q13535 | 1/20 | 0.31 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.31 |
| ▸ | ATRIP | Q8WXE1 | 1/20 | 0.31 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30020727 | 1.00 | ALDH1A1 (0.36) | ALDH1A1HSD17B10HPGDSMN1; SMN2KDM4E | |
| SCHEMBL30019977 | 0.79 | BCAT2 (0.42) | ALDH1A1HPGDSMN1; SMN2NPC1RAB9A | |
| SCHEMBL24689984 | 0.79 | BCAT2 (0.42) | ALDH1A1HPGDSMN1; SMN2NPC1RAB9A | |
| SCHEMBL13068145 | 0.71 | ALDH1A1 (0.41) | ALDH1A1HPGDSMN1; SMN2KDM4EPOLB | |
| SCHEMBL6160731 | 0.70 | USP2 (0.34) | ALDH1A1HSD17B10HPGDSMN1; SMN2 | |
| SCHEMBL18518447 | 0.69 | ALDH1A1 (0.48) | ALDH1A1POLBTSHR | |
| SCHEMBL24690174 | 0.69 | — | — | |
| SCHEMBL24690088 | 0.69 | MAPT (0.45) | HPGDNPC1RAB9ADYRK1A | |
| SCHEMBL3044550 | 0.69 | HSD17B10 (0.47) | ALDH1A1HSD17B10KDM4ETSHR | |
| SCHEMBL6744136 | 0.68 | ALDH1A1 (0.41) | ALDH1A1HSD17B10HPGDSMN1; SMN2KDM4E |
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-2022224212-A1 | GPR35 AGONIST COMPOUNDS | HEPTARES THERAPEUTICS LIMITED (GB) | 2022-10-27 | — | — | WO | disclosed |