Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 2/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | SLC7A5 | Q01650 | 2/20 | 0.34 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.34 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.34 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | PGD | P52209 | 1/20 | 0.33 |
| ▸ | LTA4H | P09960 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL18176809 | 0.89 | NOS1 (0.42) | NOS1NOS3NOS2ALDH1A1MAPT | |
| SCHEMBL12309461 | 0.89 | NOS1 (0.42) | NOS1NOS3NOS2ALDH1A1MAPT | |
| SCHEMBL3204138 | 0.83 | SLC7A5 (0.42) | NOS1NOS3NOS2ALDH1A1MAPT | |
| SCHEMBL6058611 | 0.82 | TSHR (0.50) | TSHRALDH1A1MAPTPTGS1KMT2A | |
| SCHEMBL28062530 | 0.82 | NOS1 (0.46) | NOS1NOS3NOS2ALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL10276464 | 0.81 | SLC7A5 (0.41) | NOS1NOS3NOS2ALDH1A1MAPT | |
| SCHEMBL29224728 | 0.80 | NOS1 (0.42) | NOS1NOS3NOS2ALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL8848963 | 0.80 | NOS1 (0.45) | NOS1NOS3NOS2ALDH1A1MAPT | |
| SCHEMBL28025146 | 0.79 | NOS1 (0.40) | NOS1NOS3NOS2ALDH1A1MAPT | |
| SCHEMBL1411951 | 0.79 | NOS1 (0.43) | NOS1NOS3NOS2ALDH1A1MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1324008-C | Novel compounds and compositions as cathepsin inhibitors | AVENTIS PHARMA INC (US) | 2007-07-04 | — | — | CN | disclosed |
| CN-1553892-A | Novel compounds and compositions as cathepsin inhibitors | ����˹��ҩ�﹫˾ | 2004-12-08 | — | — | CN | disclosed |
| WO-2000001714-A1 | EFFLUX PUMP INHIBITORS | MICROCIDE PHARMACEUTICALS, INC. (US) | 2000-01-13 | — | — | WO | disclosed |