Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 4/20 | 0.55 |
| ▸ | CTSK | P43235 | 4/20 | 0.55 |
| ▸ | CTSL | P07711 | 2/20 | 0.55 |
| ▸ | CTSB | P07858 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | FPR2 | P25090 | 1/20 | 0.39 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | XBP1 | P17861 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21248161 | 0.86 | ALDH1A1 (0.53) | CTSSCTSKCTSLCTSBALDH1A1 | |
| SCHEMBL21248160 | 0.86 | ALDH1A1 (0.53) | CTSSCTSKCTSLCTSBALDH1A1 | |
| SCHEMBL30365142 | 0.85 | CTSS (0.52) | CTSSCTSKCTSLCTSBCAPN1 | |
| SCHEMBL23052061 | 0.85 | CTSS (0.52) | CTSSCTSKCTSLCTSBCAPN1 | |
| SCHEMBL15762019 | 0.84 | CTSK (0.52) | CTSSCTSKCTSLCTSBCAPN1 | |
| SCHEMBL21248186 | 0.83 | ALDH1A1 (0.50) | CTSSCTSKCTSLCTSBALDH1A1 | |
| SCHEMBL13489703 | 0.83 | KDM4E (0.47) | CTSSCTSKCTSLCTSBMAPT | |
| SCHEMBL29918109 | 0.83 | CTSS (0.60) | CTSSCTSKCTSLCTSBCAPN1 | |
| SCHEMBL21265876 | 0.82 | ALDH1A1 (0.49) | CTSSCTSKCTSLCTSBALDH1A1 | |
| SCHEMBL23619297 | 0.82 | ALDH1A1 (0.49) | CTSSCTSKCTSLCTSBALDH1A1 |
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-2021038426-A1 | SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE | NOVARTIS AG (CH) | 2021-03-04 | — | — | WO | disclosed |