Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 4/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.33 |
| ▸ | BLM | P54132 | 2/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.32 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.32 |
| ▸ | FAP | Q12884 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27662 | 0.94 | — | — | |
| SCHEMBL1228638 | 0.94 | NPC1 (0.40) | NPC1ALDH1A1DPP4LMNATSHR | |
| Acrylic Acid SCHEMBL28515783 | 0.79 | LMNA (0.43) | NPC1ALDH1A1LMNATSHRTP53 | |
| SCHEMBL1228635 | 0.79 | CAD (0.32) | NPC1ALDH1A1CAD | |
| SCHEMBL1938866 | 0.77 | — | — | |
| SCHEMBL14505490 | 0.76 | — | — | |
| Urea SCHEMBL27515425 | 0.75 | — | — | |
| SCHEMBL24463 | 0.73 | — | — | |
| SCHEMBL4011389 | 0.73 | LMNA (0.47) | NPC1ALDH1A1DPP4LMNATSHR | |
| SCHEMBL3064250 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1052250-B1 | Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors | SEARLE & CO (US) | 2004-07-14 | — | — | EP | disclosed |