Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | MGLL | Q99685 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29253289 | 0.90 | ALDH1A1 (0.51) | ALDH1A1MGLLNPSR1TSHRMAPK1 | |
| SCHEMBL29253474 | 0.83 | ALDH1A1 (0.54) | ALDH1A1MGLLNPSR1L3MBTL1TSHR | |
| SCHEMBL28211121 | 0.83 | LMNA (0.50) | ALDH1A1MGLLNPSR1LMNAMAPT | |
| SCHEMBL9370539 | 0.81 | TSHR (0.54) | ALDH1A1L3MBTL1TSHRTDP1MAPK1 | |
| SCHEMBL29253297 | 0.75 | ALDH1A1 (0.55) | ALDH1A1MGLLNPSR1L3MBTL1TDP1 | |
| SCHEMBL9816840 | 0.74 | ALDH1A1 (0.47) | ALDH1A1L3MBTL1TSHRTDP1MAPK1 | |
| SCHEMBL5116198 | 0.73 | TSHR (0.46) | ALDH1A1L3MBTL1TSHRTDP1MAPK1 | |
| SCHEMBL5320176 | 0.72 | GRIN2D (0.55) | ALDH1A1MGLLLMNACNR2 | |
| SCHEMBL13541178 | 0.72 | TSHR (0.51) | ALDH1A1L3MBTL1TSHRTDP1MAPK1 | |
| SCHEMBL11585014 | 0.72 | MGLL (0.55) | ALDH1A1MGLLNPSR1TSHRLMNA |
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-118294561-A | Method for measuring methanesulfonate in transdermal patch by derivatization HPLC-UV method | 上海世领制药有限公司 | 2024-07-05 | — | — | CN | disclosed |