Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | TRIM24 | O15164 | 2/20 | 0.35 |
| ▸ | TRIM33 | Q9UPN9 | 2/20 | 0.35 |
| ▸ | ERN1 | O75460 | 3/20 | 0.34 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | TLR2 | O60603 | 1/20 | 0.33 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.33 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.32 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29984131 | 0.81 | ALDH1A1 (0.48) | ALDH1A1TSHRTRIM24TRIM33ERN1 | |
| SCHEMBL28764582 | 0.75 | ALDH1A1 (0.46) | ALDH1A1TSHRSRCMEN1KMT2A | |
| SCHEMBL30711833 | 0.75 | — | — | |
| SCHEMBL7757773 | 0.73 | ALDH1A1 (0.56) | ALDH1A1TSHRTRIM24TRIM33ERN1 | |
| SCHEMBL8536075 | 0.71 | MAPT (0.41) | ALDH1A1MEN1KMT2ALMNABLM | |
| SCHEMBL4447447 | 0.71 | TSHR (0.44) | ALDH1A1TSHRTRIM24TRIM33ERN1 | |
| SCHEMBL8533367 | 0.68 | ALDH1A1 (0.54) | ALDH1A1TSHRTRIM24TRIM33ERN1 | |
| Alcohol SCHEMBL27697026 | 0.68 | ALDH1A1 (0.54) | ALDH1A1TSHRTRIM24TRIM33ERN1 | |
| SCHEMBL22781762 | 0.68 | SCN4A (0.42) | ALDH1A1MEN1KMT2ALMNABLM | |
| Alcohol SCHEMBL28904604 | 0.67 | ALDH1A1 (0.78) | ALDH1A1TSHRTRIM24TRIM33ERN1 |
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-110366556-B | Antibacterial peptide macrocyclic compounds and uses thereof | 豪夫迈·罗氏有限公司 | 2024-01-05 | — | — | CN | disclosed |
| CN-108350028-B | Peptide macrocycles against Acinetobacter baumannii | 豪夫迈·罗氏有限公司 | 2021-12-07 | — | — | CN | disclosed |