Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.42 |
| ▸ | CTSL | P07711 | 2/20 | 0.40 |
| ▸ | CTSS | P25774 | 2/20 | 0.40 |
| ▸ | CTSK | P43235 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | ACACB | O00763 | 1/20 | 0.39 |
| ▸ | ACACA | Q13085 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.38 |
| ▸ | FURIN | P09958 | 2/20 | 0.37 |
| ▸ | PTH1R | Q03431 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11935680 | 0.86 | ALDH1A1 (0.43) | ALDH1A1TSHRPARP10CTSLCTSS | |
| SCHEMBL4427324 | 0.78 | PARP10 (0.51) | PARP10CTSLCTSSCTSK | |
| SCHEMBL16792412 | 0.77 | PARP10 (0.49) | ALDH1A1TSHRPARP10ALOX12ACACB | |
| SCHEMBL7425479 | 0.76 | PARP10 (0.54) | ALDH1A1TSHRPARP10ACACBACACA | |
| SCHEMBL11935997 | 0.76 | ALDH1A1 (0.55) | ALDH1A1TSHRPARP10GAAMAPT | |
| SCHEMBL11936005 | 0.75 | ALDH1A1 (0.54) | ALDH1A1TSHRGAAMAPTALOX12 | |
| SCHEMBL11935703 | 0.75 | CTSL (0.43) | CTSLCTSSCTSKGAAMAPT | |
| SCHEMBL16229990 | 0.74 | ALDH1A1 (0.68) | ALDH1A1TSHRALOX12HRH3 | |
| SCHEMBL13439233 | 0.74 | ALDH1A1 (0.40) | ALDH1A1TSHRPARP10CTSLCTSS | |
| SCHEMBL11935488 | 0.74 | ALDH1A1 (0.40) | ALDH1A1TSHRPARP10CTSLCTSS |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000048993-A1 | ARYLAMINOALKYLAMIDES | NOVARTIS AG (CH) | 2000-08-24 | — | — | WO | disclosed |