Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 10/20 | 0.41 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.34 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.34 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | GMNN | O75496 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CA3 | P07451 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24653826 | 1.00 | PDK2 (0.41) | PDK2TXNRD1TXNRD3TXNRD2NPC1 | |
| SCHEMBL19205328 | 0.72 | PDK2 (0.46) | PDK2NPC1RAB9ASMN1; SMN2HSD17B10 | |
| SCHEMBL24654103 | 0.70 | OPRD1 (0.41) | HSD17B10CA12ALDH1A1CA2LMNA | |
| SCHEMBL24653825 | 0.70 | HPGD (0.38) | TXNRD1TXNRD3TXNRD2NPC1RAB9A | |
| SCHEMBL12958387 | 0.69 | IDO1 (0.37) | PDK2NFKB1 | |
| SCHEMBL9837054 | 0.66 | ALDH1A1 (0.45) | PDK2NPC1RAB9ASMN1; SMN2HSD17B10 | |
| SCHEMBL2046462 | 0.65 | ALDH1A1 (0.43) | PDK2NPC1RAB9ASMN1; SMN2HSD17B10 | |
| SCHEMBL10515528 | 0.65 | ALDH1A1 (0.43) | PDK2NPC1RAB9ASMN1; SMN2HSD17B10 | |
| SCHEMBL23576911 | 0.64 | MGLL (0.41) | CA2CA4CA5ACA14CA5B | |
| SCHEMBL3159717 | 0.64 | MGLL (0.39) | PDK2TXNRD1TXNRD3TXNRD2NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4095134-A1 | POLYCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL INDICATIONS | UCL Business Ltd (GB) | 2022-11-30 | — | — | EP | disclosed |