Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 11/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 7/20 | 0.33 |
| ▸ | PPARD | Q03181 | 7/20 | 0.33 |
| ▸ | PPARA | Q07869 | 7/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.33 |
| ▸ | TSHR | P16473 | 4/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TLR2 | O60603 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | FABP4 | P15090 | 2/20 | 0.33 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.33 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17789224 | 0.74 | SLC1A2 (0.44) | — | |
| SCHEMBL1158176 | 0.74 | SLC1A2 (0.44) | — | |
| SCHEMBL9322126 | 0.74 | AKR1B1 (0.41) | GPR84AKR1B1PPARGPPARDPPARA | |
| SCHEMBL27834320 | 0.74 | HDAC3 (0.46) | HDAC11ALDH1A1TDP1KMT2AFFAR1 | |
| SCHEMBL1377042 | 0.73 | FOLH1 (0.43) | — | |
| SCHEMBL4401256 | 0.72 | AKR1B1 (0.56) | GPR84AKR1B1PPARGPPARDPPARA | |
| SCHEMBL9323099 | 0.72 | AKR1B1 (0.50) | GPR84AKR1B1PPARGPPARDPPARA | |
| SCHEMBL27834326 | 0.71 | CACNA2D1 (0.39) | TDP1SLC22A6CACNA2D1CACNB3CACNA1C | |
| Benzene SCHEMBL28058719 | 0.71 | AKR1B1 (0.38) | GPR84AKR1B1PPARGPPARDPPARA | |
| SCHEMBL27616754 | 0.69 | GPR84 (0.54) | GPR84AKR1B1PPARGPPARDPPARA |
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 |