Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHB3 | P54753 | 1/20 | 0.63 |
| ▸ | NPC1 | O15118 | 6/20 | 0.56 |
| ▸ | RAB9A | P51151 | 6/20 | 0.56 |
| ▸ | KIT | P10721 | 5/20 | 0.50 |
| ▸ | DDR2 | Q16832 | 4/20 | 0.50 |
| ▸ | DDR1 | Q08345 | 3/20 | 0.50 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL20360384 | 0.85 | EPHB3 (0.62) | EPHB3NPC1RAB9AKITDDR2 | |
| SCHEMBL9913664 | 0.85 | EPHB3 (0.62) | EPHB3NPC1RAB9AKITDDR2 | |
| SCHEMBL31734396 | 0.83 | NPC1 (0.51) | EPHB3NPC1RAB9AKITDDR2 | |
| SCHEMBL16797995 | 0.83 | DDR2 (0.69) | EPHB3NPC1RAB9AKITDDR2 | |
| SCHEMBL9278491 | 0.83 | EPHB3 (0.59) | EPHB3NPC1RAB9AKITDDR2 | |
| SCHEMBL21387402 | 0.81 | EPHB3 (0.58) | EPHB3NPC1RAB9AKITDDR2 | |
| SCHEMBL496758 | 0.81 | NPC1 (0.60) | EPHB3NPC1RAB9AKITDDR2 | |
| SCHEMBL29843826 | 0.80 | EPHB3 (0.56) | EPHB3NPC1RAB9AKITDDR2 | |
| Hydrochloric Acid SCHEMBL21834227 | 0.79 | NPC1 (0.59) | EPHB3NPC1RAB9AKITDDR2 | |
| SCHEMBL2017759 | 0.79 | NPC1 (0.59) | EPHB3NPC1RAB9ATGFBR1ADORA2A |
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-114380823-B | Imidazole-2-methylamine derivative and medical application thereof | 中国药科大学 | 2023-06-23 | — | — | CN | disclosed |