Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHB3 | P54753 | 2/20 | 0.53 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | DRD4 | P21917 | 2/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | JAK2 | O60674 | 7/20 | 0.37 |
| ▸ | JAK1 | P23458 | 7/20 | 0.37 |
| ▸ | TYK2 | P29597 | 7/20 | 0.37 |
| ▸ | JAK3 | P52333 | 7/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL3083560 | 0.81 | EPHB3 (0.58) | EPHB3DRD2DRD4DRD3NPC1 | |
| SCHEMBL1290436 | 0.81 | EPHB3 (0.58) | EPHB3DRD2DRD4DRD3NPC1 | |
| SCHEMBL7308380 | 0.77 | HTR3E (0.51) | LMNAHTTSMN1; SMN2 | |
| SCHEMBL7308374 | 0.77 | HTR3E (0.51) | LMNAHTTSMN1; SMN2 | |
| SCHEMBL28801137 | 0.74 | RXFP1 (0.34) | EPHB3RAB9AALDH1A1HPGDTYK2 | |
| SCHEMBL21236685 | 0.71 | EPHB3 (0.46) | EPHB3DRD2DRD4DRD3NPC1 | |
| SCHEMBL3319532 | 0.71 | SMPD3 (0.43) | EPHB3DRD2DRD4DRD3NPC1 | |
| SCHEMBL2059668 | 0.71 | KMT2A (0.50) | EPHB3DRD2DRD4DRD3NPC1 | |
| SCHEMBL3606326 | 0.71 | IRAK4 (0.49) | EPHB3ALDH1A1LMNAHSD17B10KDM4E | |
| SCHEMBL1290444 | 0.70 | DRD2 (0.53) | DRD2DRD4DRD3NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-108884050-B | Tetrahydroisoquinoline derivatives | UCB生物制药私人有限公司 | 2022-07-05 | — | — | CN | disclosed |