Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | USP2 | O75604 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | MIF | P14174 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | GABRP | O00591 | 2/20 | 0.32 |
| ▸ | GABRD | O14764 | 2/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.32 |
| ▸ | GABRB1 | P18505 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23076234 | 1.00 | NPC1 (0.54) | NPC1RAB9AHPGDMAPK1TSHR | |
| SCHEMBL10804413 | 0.75 | MEN1 (0.47) | NPC1RAB9A | |
| SCHEMBL19233775 | 0.72 | NPC1 (0.48) | NPC1RAB9AHPGDMAPK1TSHR | |
| SCHEMBL824419 | 0.72 | NPC1 (0.63) | NPC1RAB9AHPGDMAPK1TSHR | |
| SCHEMBL19233777 | 0.72 | NPC1 (0.48) | NPC1RAB9AHPGDMAPK1TSHR | |
| SCHEMBL17491659 | 0.70 | NPC1 (0.66) | NPC1RAB9AHPGDMAPK1TSHR | |
| SCHEMBL19729626 | 0.70 | NPC1 (0.49) | NPC1RAB9AHPGDMAPK1ALDH1A1 | |
| SCHEMBL12289824 | 0.70 | NPC1 (1.00) | NPC1RAB9AHPGDTSHRUSP2 | |
| SCHEMBL23295693 | 0.70 | NPC1 (0.52) | NPC1RAB9AHPGDMAPK1TSHR | |
| SCHEMBL23076374 | 0.69 | NPC1 (0.47) | NPC1RAB9AHPGDTSHRUSP2 |
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-4025566-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | Merck Patent GmbH (DE) | 2022-07-13 | — | — | EP | disclosed |