Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.32 |
| ▸ | SLC7A5 | Q01650 | 2/20 | 0.32 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ACE | P12821 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9567608 | 1.00 | TP53 (0.36) | TP53GABRR1SLC7A5RNPEPCYP1A2 | |
| SCHEMBL562830 | 0.84 | FFAR3 (0.38) | TP53CYP1A2FFAR3TDP1ACE | |
| SCHEMBL6560984 | 0.76 | FFAR3 (0.40) | TP53GABRR1SLC7A5RNPEPCYP1A2 | |
| SCHEMBL11421933 | 0.74 | FFAR3 (0.38) | TP53GABRR1SLC7A5RNPEPCYP1A2 | |
| SCHEMBL9021302 | 0.72 | TP53 (0.35) | TP53GABRR1SLC7A5RNPEPCYP1A2 | |
| SCHEMBL21414358 | 0.72 | FFAR3 (0.36) | TP53GABRR1SLC7A5RNPEPCYP1A2 | |
| SCHEMBL9494978 | 0.71 | TP53 (0.44) | TP53GABRR1SLC7A5RNPEPCYP1A2 | |
| SCHEMBL1167842 | 0.71 | TP53 (0.44) | TP53GABRR1SLC7A5RNPEPCYP1A2 | |
| SCHEMBL5871931 | 0.69 | TP53 (0.42) | TP53GABRR1SLC7A5RNPEPCYP1A2 | |
| SCHEMBL27509315 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0522547-A2 | Carbonyl-containing degradable chelants, uses and compositions thereof | THE DOW CHEMICAL COMPANY (US) | 1993-01-13 | — | — | EP | disclosed |