Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN1 | P07384 | 15/20 | 1.00 |
| ▸ | CTSB | P07858 | 4/20 | 0.52 |
| ▸ | CTSL | P07711 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.51 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.51 |
| ▸ | CTSS | P25774 | 2/20 | 0.48 |
| ▸ | CTSK | P43235 | 2/20 | 0.48 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | TTR | P02766 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7787056 | 1.00 | CAPN1 (1.00) | CAPN1CTSBCTSLALDH1A1TAS1R3 | |
| SCHEMBL7791357 | 0.86 | CAPN1 (0.75) | CAPN1CTSBCTSLALDH1A1TAS1R3 | |
| SCHEMBL7791353 | 0.86 | CAPN1 (0.75) | CAPN1CTSBCTSLALDH1A1TAS1R3 | |
| SCHEMBL7787776 | 0.84 | CAPN1 (1.00) | CAPN1CTSBCTSLCTSSCTSK | |
| SCHEMBL7789887 | 0.83 | CAPN1 (1.00) | CAPN1CTSBCTSLCTSSCTSK | |
| SCHEMBL7789890 | 0.83 | CAPN1 (1.00) | CAPN1CTSBCTSLCTSSCTSK | |
| SCHEMBL24863013 | 0.80 | CAPN1 (0.66) | CAPN1CTSBALDH1A1HPGD | |
| SCHEMBL7694680 | 0.80 | CAPN1 (0.72) | CAPN1CTSBCTSLALDH1A1TAS1R3 | |
| SCHEMBL1335152 | 0.80 | CAPN1 (0.78) | CAPN1CTSBCTSLCTSSCTSK | |
| SCHEMBL1335154 | 0.80 | CAPN1 (0.78) | CAPN1CTSBCTSLCTSSCTSK |
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 |