Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.47 |
| ▸ | CTSG | P08311 | 1/20 | 0.47 |
| ▸ | CMA1 | P23946 | 1/20 | 0.47 |
| ▸ | CTSD | P07339 | 2/20 | 0.45 |
| ▸ | REN | P00797 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL622809 | 0.99 | HDAC1 (0.48) | CASP1HDAC1HDAC6HDAC3HDAC4 | |
| SCHEMBL621465 | 0.84 | CAPN1 (0.52) | CASP1HDAC1HDAC6CTSD | |
| SCHEMBL621676 | 0.82 | CTSD (0.50) | CTSDREN | |
| SCHEMBL12473604 | 0.82 | CASP3 (0.47) | CASP1ALDH1A1THRBCYP2C9CYP2C19 | |
| SCHEMBL622823 | 0.81 | CTSB (0.54) | CTSD | |
| SCHEMBL623185 | 0.81 | CYP3A4 (0.54) | CASP1HDAC1HDAC6CTSDALDH1A1 | |
| SCHEMBL623151 | 0.81 | ALDH1A1 (0.45) | CASP1CTSDALDH1A1THRBCYP2C9 | |
| SCHEMBL623892 | 0.81 | CASP3 (0.46) | CASP1ALDH1A1THRBCYP2C9CYP2C19 | |
| SCHEMBL622532 | 0.81 | CAPN1 (0.55) | CASP1CTSD | |
| SCHEMBL622810 | 0.80 | CTSB (0.53) | CTSD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012021788-A2 | DIPEPTIDE CALPAIN INHIBITORS | BANYAN BIOMARKERS (US) | 2012-02-16 | — | — | WO | disclosed |
| WO-2012021788-A2 | DIPEPTIDE CALPAIN INHIBITORS | BANYAN BIOMARKERS (US) | 2012-02-16 | — | — | WO | disclosed |