Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.49 |
| ▸ | CTSL | P07711 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CTSD | P07339 | 1/20 | 0.44 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.43 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.43 |
| ▸ | PLAAT2 | Q9NWW9 | 1/20 | 0.43 |
| ▸ | PLAAT4 | Q9UL19 | 1/20 | 0.43 |
| ▸ | UTS2R | Q9UKP6 | 2/20 | 0.42 |
| ▸ | HTRA1 | Q92743 | 1/20 | 0.42 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL623362 | 0.91 | CTSB (0.58) | CTSBCASP1CTSD | |
| SCHEMBL10084323 | 0.90 | CTSB (0.48) | CTSBCYP1A2CYP3A4CYP2C9TSHR | |
| SCHEMBL623363 | 0.89 | CTSB (0.53) | CTSBCTSLCASP1CTSD | |
| SCHEMBL622416 | 0.88 | CTSB (0.54) | CTSBCASP1CTSD | |
| SCHEMBL621818 | 0.88 | CTSB (0.53) | CTSBCASP1CTSDUTS2R | |
| SCHEMBL10084539 | 0.87 | CTSB (0.53) | CTSBCASP1CTSDUTS2RHTRA1 | |
| SCHEMBL10084535 | 0.85 | CTSB (0.47) | CTSBCASP1CTSDHTRA1 | |
| SCHEMBL621459 | 0.85 | CTSB (0.46) | CTSBCASP1CTSDHTRA1 | |
| SCHEMBL623793 | 0.85 | ALDH1A1 (0.54) | CTSBCASP1CTSD | |
| SCHEMBL10084534 | 0.85 | CTSB (0.51) | CTSBCASP1CTSD |
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 |