Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN1 | P07384 | 11/20 | 0.58 |
| ▸ | CTSB | P07858 | 2/20 | 0.46 |
| ▸ | PIN1 | Q13526 | 3/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 2/20 | 0.42 |
| ▸ | PPARA | Q07869 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7787804 | 1.00 | CAPN1 (0.58) | CAPN1CTSBPIN1CA2PPARG | |
| SCHEMBL7787044 | 0.84 | CAPN1 (0.57) | CAPN1CTSBPIN1CA2CTSL | |
| SCHEMBL7789879 | 0.83 | CAPN1 (0.48) | CAPN1KDM4E | |
| SCHEMBL7789875 | 0.83 | CAPN1 (0.48) | CAPN1KDM4E | |
| SCHEMBL7789993 | 0.81 | NR1H4 (0.62) | CAPN1PIN1PPARG | |
| SCHEMBL7790056 | 0.81 | CAPN1 (0.74) | CAPN1CTSBPIN1CTSL | |
| SCHEMBL7789863 | 0.80 | CAPN1 (0.72) | CAPN1PIN1 | |
| SCHEMBL7789862 | 0.80 | CAPN1 (0.72) | CAPN1PIN1 | |
| SCHEMBL7789989 | 0.80 | NR1H4 (0.58) | CAPN1PIN1KDM4EMEN1KMT2A | |
| SCHEMBL7789992 | 0.80 | NR1H4 (0.58) | CAPN1PIN1KDM4EMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-6251917-B1 | Benzamidoaldehydes and their use as cysteine protease inhibitors | BASF AKTIENGESELLSCHAFT (DE) | 2001-06-26 | — | — | US | disclosed |