Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | MERTK | Q12866 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | DDIT3 | P35638 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30005740 | 0.94 | ALDH1A1 (0.44) | ALDH1A1MEN1KMT2ANPSR1MERTK | |
| SCHEMBL30004949 | 0.92 | ALDH1A1 (0.45) | ALDH1A1MEN1KMT2ANPSR1MERTK | |
| Hydrochloric Acid SCHEMBL30005748 | 0.87 | ALDH1A1 (0.49) | ALDH1A1MEN1KMT2ANPSR1NAMPT | |
| SCHEMBL30005876 | 0.86 | ALDH1A1 (0.45) | ALDH1A1MEN1KMT2ANPSR1NAMPT | |
| Hydrochloric Acid SCHEMBL30005579 | 0.83 | ALDH1A1 (0.42) | ALDH1A1MEN1KMT2ANPSR1DDIT3 | |
| SCHEMBL30005695 | 0.83 | ALDH1A1 (0.47) | ALDH1A1MEN1KMT2ANPSR1MERTK | |
| SCHEMBL30005111 | 0.82 | ALDH1A1 (0.48) | ALDH1A1MEN1KMT2ANPSR1MERTK | |
| SCHEMBL30005618 | 0.80 | ALDH1A1 (0.49) | ALDH1A1MEN1KMT2ANPSR1NAMPT | |
| SCHEMBL30005567 | 0.80 | ALDH1A1 (0.46) | ALDH1A1MEN1KMT2ANPSR1MERTK | |
| SCHEMBL30005921 | 0.80 | ALDH1A1 (0.48) | ALDH1A1MEN1KMT2ANPSR1MERTK |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022220725-A1 | LPXH INHIBITORS AS ANTI-INFECTIVE AGENTS | ZAMARATSKI EDOUARD (SE) | 2022-10-20 | — | — | WO | disclosed |