Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | CPA1 | P15085 | 2/20 | 0.41 |
| ▸ | CPB1 | P15086 | 1/20 | 0.41 |
| ▸ | CPA3 | P15088 | 1/20 | 0.41 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL27834320 | 0.91 | HDAC3 (0.46) | KEAP1CPA1CPB1CPA3CPB2 | |
| SCHEMBL27834315 | 0.83 | CPA1 (0.43) | KEAP1CPA1CPB1CPA3CPB2 | |
| SCHEMBL1373565 | 0.76 | CPA3 (0.56) | KEAP1CPA3HDAC3HDAC4HDAC1 | |
| SCHEMBL349504 | 0.74 | ALDH1A1 (0.48) | KEAP1ADRA1ASMN1; SMN2ALDH1A1 | |
| SCHEMBL18065715 | 0.73 | MMP12 (0.56) | KEAP1CPA1CPB1CPA3CPB2 | |
| SCHEMBL27852451 | 0.73 | CYP2C19 (0.39) | CPA1CPB1CPA3CPB2FFAR1 | |
| SCHEMBL11287309 | 0.70 | TDP1 (0.54) | KEAP1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL11287304 | 0.70 | ALDH1A1 (0.44) | KEAP1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL10488291 | 0.69 | MMP12 (0.51) | KEAP1CPA1CPB1CPA3CPB2 | |
| SCHEMBL27852582 | 0.69 | GPR84 (0.39) | HDAC11ADRA1AFFAR1AKR1B1ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104873982-A | PSMA binding ligand-linker conjugates and methods of use thereof | PURDUE RESEARCH FOUNDATION | 2015-09-02 | — | — | CN | disclosed |
| CN-102014956-B | PSMA binding ligand-linker conjugates and methods of use thereof | PURDUE RESEARCH FOUNDATION | 2015-06-03 | — | — | CN | disclosed |
| CN-102014956-A | PSMA binding ligand-linker conjugates and methods of use thereof | PURDUE RESEARCH FOUNDATION | 2011-04-13 | — | — | CN | disclosed |