Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | NAMPT | P43490 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21568019 | 0.85 | ALDH1A1 (0.56) | ALDH1A1SETD7CYP1A2HPGDKDM4E | |
| SCHEMBL21551953 | 0.84 | CYP1A2 (0.50) | ALDH1A1SETD7CYP1A2HPGDKDM4E | |
| SCHEMBL21551921 | 0.83 | HDAC1 (0.57) | ALDH1A1SETD7CYP1A2HPGDLMNA | |
| SCHEMBL21568024 | 0.82 | ALDH1A1 (0.55) | ALDH1A1SETD7CYP1A2KDM4EGAA | |
| SCHEMBL22708463 | 0.82 | ALDH1A1 (0.57) | ALDH1A1SETD7HPGDKDM4ELMNA | |
| SCHEMBL1241975 | 0.81 | ALDH1A1 (0.63) | ALDH1A1SETD7CYP1A2HPGDKDM4E | |
| SCHEMBL30418534 | 0.81 | ALDH1A1 (0.58) | ALDH1A1SETD7CYP1A2HPGDKDM4E | |
| SCHEMBL21551834 | 0.81 | HDAC4 (0.50) | ALDH1A1SETD7KDM4EGAAALOX5 | |
| SCHEMBL21552087 | 0.80 | MCHR1 (0.54) | ALDH1A1SETD7HPGDALOX5NAMPT | |
| SCHEMBL6642558 | 0.80 | ALDH1A1 (0.55) | ALDH1A1SETD7HPGDKDM4EALOX5 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019216810-A1 | NEW ANTIFUNGAL COMPOUNDS | URBAN CONSTANTIN (SE) | 2019-11-14 | — | — | WO | claimed |
| WO-2019216810-A1 | NEW ANTIFUNGAL COMPOUNDS | URBAN CONSTANTIN (SE) | 2019-11-14 | — | — | WO | disclosed |
| WO-2019216810-A1 | NEW ANTIFUNGAL COMPOUNDS | URBAN CONSTANTIN (SE) | 2019-11-14 | — | — | WO | disclosed |