Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.54 |
| ▸ | PIN1 | Q13526 | 3/20 | 0.51 |
| ▸ | GGPS1 | O95749 | 1/20 | 0.49 |
| ▸ | GPR27 | Q9NS67 | 1/20 | 0.49 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | AR | P10275 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | F2 | P00734 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | KAT6A | Q92794 | 2/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7791333 | 1.00 | AKR1C3 (0.54) | AKR1C3PIN1GGPS1GPR27SLC16A3 | |
| SCHEMBL7789330 | 0.90 | ALDH1A1 (0.57) | AKR1C3PIN1GPR27SLC16A3MEN1 | |
| SCHEMBL7789327 | 0.90 | ALDH1A1 (0.57) | AKR1C3PIN1GPR27SLC16A3MEN1 | |
| SCHEMBL7674462 | 0.89 | AKR1C3 (0.50) | AKR1C3PIN1GGPS1GPR27SLC16A3 | |
| SCHEMBL7674458 | 0.89 | AKR1C3 (0.50) | AKR1C3PIN1GGPS1GPR27SLC16A3 | |
| SCHEMBL7787817 | 0.88 | AKR1C3 (0.53) | AKR1C3GGPS1GPR27MEN1KMT2A | |
| SCHEMBL7790027 | 0.86 | AKR1C3 (0.51) | AKR1C3GGPS1GPR27MEN1KMT2A | |
| SCHEMBL7790030 | 0.86 | AKR1C3 (0.51) | AKR1C3GGPS1GPR27MEN1KMT2A | |
| SCHEMBL7782218 | 0.85 | AKR1C3 (0.53) | AKR1C3GGPS1GPR27SLC16A3MEN1 | |
| SCHEMBL7782219 | 0.85 | AKR1C3 (0.53) | AKR1C3GGPS1GPR27SLC16A3MEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6251917-B1 | Benzamidoaldehydes and their use as cysteine protease inhibitors | BASF AKTIENGESELLSCHAFT (DE) | 2001-06-26 | — | — | US | disclosed |