Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.64 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.64 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.64 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.53 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.53 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.53 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.43 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.43 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL875658 | 0.85 | SLC6A2 (0.68) | SLC6A2SLC6A4SLC6A3GSTP1HDAC4 | |
| SCHEMBL84188 | 0.84 | SLC6A2 (0.66) | SLC6A2SLC6A4SLC6A3GSTP1HDAC4 | |
| SCHEMBL29618929 | 0.84 | SLC6A2 (0.66) | SLC6A2SLC6A4SLC6A3GSTP1HDAC4 | |
| SCHEMBL30610922 | 0.84 | SLC6A2 (0.66) | SLC6A2SLC6A4SLC6A3GSTP1HDAC4 | |
| SCHEMBL31621280 | 0.82 | SLC6A2 (0.64) | SLC6A2SLC6A4SLC6A3GSTP1HDAC4 | |
| SCHEMBL31621279 | 0.82 | SLC6A2 (0.64) | SLC6A2SLC6A4SLC6A3GSTP1HDAC4 | |
| SCHEMBL9410636 | 0.82 | SLC6A2 (0.59) | SLC6A2SLC6A4SLC6A3GSTP1HDAC4 | |
| Bromide SCHEMBL7032662 | 0.82 | SLC6A2 (0.64) | SLC6A2SLC6A4SLC6A3GSTP1HDAC4 | |
| SCHEMBL5381730 | 0.79 | PTGER1 (0.53) | SLC6A4SLC6A3AKR1C3AKR1C2ALDH1A1 | |
| SCHEMBL9189732 | 0.78 | MEN1 (0.65) | SLC6A2SLC6A4SLC6A3GSTP1HDAC4 |
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 |