Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 3/20 | 0.65 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.65 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.65 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.65 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.65 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.65 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.65 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.65 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.65 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.65 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.65 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.65 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.65 |
| ▸ | MAPT | P10636 | 1/20 | 0.61 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.61 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL8736669 | 0.81 | HDAC3 (0.57) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL4992352 | 0.81 | TSHR (0.66) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL10596459 | 0.80 | TSHR (0.69) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| Phenylbutanoic Acid SCHEMBL1021513 | 0.80 | HDAC1 (1.00) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| Phenylbutanoic Acid SCHEMBL1716 | 0.80 | HDAC1 (1.00) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| Phenylbutanoic Acid SCHEMBL21219015 | 0.80 | HDAC1 (1.00) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| Phenylbutanoic Acid SCHEMBL2010634 | 0.78 | HDAC1 (0.95) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| Phenylbutanoic Acid SCHEMBL31228551 | 0.78 | HDAC1 (0.95) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| Phenylbutanoic Acid SCHEMBL726614 | 0.78 | HDAC1 (0.95) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| 5-Phenylvaleric Acid SCHEMBL503601 | 0.78 | MAPT (0.96) | HDAC3HDAC1HDAC2HDAC8HDAC6 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |