Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | BCKDK | O14874 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.32 |
| ▸ | CAPN2 | P17655 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CCR2 | P41597 | 1/20 | 0.32 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29063150 | 0.90 | CA1 (0.37) | NPC1MAPTRAB9AHTTSMN1; SMN2 | |
| SCHEMBL18990052 | 0.87 | ALDH1A1 (0.38) | RAB9ASMN1; SMN2ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL18990053 | 0.87 | ALDH1A1 (0.38) | RAB9ASMN1; SMN2ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL18990057 | 0.87 | ALDH1A1 (0.38) | RAB9ASMN1; SMN2ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL29015299 | 0.84 | ALPL (0.31) | — | |
| SCHEMBL30310480 | 0.84 | CA12 (0.36) | NPC1MAPTRAB9AHTTSMN1; SMN2 | |
| SCHEMBL18989880 | 0.84 | CA12 (0.36) | NPC1MAPTRAB9AHTTSMN1; SMN2 | |
| SCHEMBL18989878 | 0.84 | CA12 (0.36) | NPC1MAPTRAB9AHTTSMN1; SMN2 | |
| SCHEMBL29015659 | 0.83 | — | — | |
| SCHEMBL29015519 | 0.83 | — | — |
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-116685576-A | Cysteine protease inhibitors and methods of use thereof | 美商帕迪斯生物科学公司 | 2023-09-01 | — | — | CN | disclosed |