Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 5/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4787448 | 0.78 | MAPT (0.54) | NPC1ALDH1A1SMN1; SMN2LMNARAB9A | |
| SCHEMBL28960383 | 0.76 | LMNA (0.39) | NPC1ALDH1A1SMN1; SMN2LMNARAB9A | |
| SCHEMBL28789880 | 0.75 | SMN1; SMN2 (0.38) | NPC1ALDH1A1SMN1; SMN2LMNARAB9A | |
| SCHEMBL31454215 | 0.72 | ALDH1A1 (0.56) | NPC1ALDH1A1LMNARAB9AMAPT | |
| SCHEMBL4321608 | 0.70 | MAPT (0.58) | NPC1ALDH1A1SMN1; SMN2LMNAMAPT | |
| SCHEMBL26412819 | 0.70 | CYP2C9 (0.56) | NPC1SMN1; SMN2LMNARAB9ACYP1A2 | |
| SCHEMBL31454206 | 0.69 | JMJD6 (0.46) | NPC1ALDH1A1SMN1; SMN2LMNARAB9A | |
| SCHEMBL2399420 | 0.68 | NPC1 (0.57) | NPC1ALDH1A1SMN1; SMN2RAB9AMAPT | |
| SCHEMBL16235806 | 0.68 | SMN1; SMN2 (0.59) | ALDH1A1SMN1; SMN2LMNAMAPTKDM4E | |
| SCHEMBL15908738 | 0.67 | TSHR (0.46) | ALDH1A1SMN1; SMN2LMNAMAPTKDM4E |
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-114746408-A | Alkynyl- (heteroaryl) -carboxamide HCN1 inhibitors | 豪夫迈·罗氏有限公司 | 2022-07-12 | — | — | CN | disclosed |