Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.55 |
| ▸ | HPGD | P15428 | 3/20 | 0.55 |
| ▸ | HTT | P42858 | 2/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | IDH2 | P48735 | 1/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL30006605 | 0.95 | TRPV4 (0.57) | ALDH1A1KDM4EHPGDHTTMAPT | |
| SCHEMBL30005576 | 0.87 | TRPV4 (0.55) | ALDH1A1KDM4EHTTMAPTGAA | |
| SCHEMBL30005853 | 0.86 | TRPV4 (0.57) | ALDH1A1KDM4EHPGDHTTMAPT | |
| SCHEMBL30005773 | 0.84 | TRPV4 (0.50) | ALDH1A1KDM4EHTTHSD17B10MAPT | |
| SCHEMBL30005407 | 0.83 | HTT (0.55) | ALDH1A1KDM4EHPGDHTTHSD17B10 | |
| SCHEMBL30005867 | 0.81 | TRPV4 (0.54) | ALDH1A1KDM4EHTTMAPTGAA | |
| SCHEMBL30005706 | 0.81 | ALDH1A1 (0.66) | ALDH1A1KDM4EHTTMAPTGAA | |
| SCHEMBL30005315 | 0.80 | TRPV4 (0.53) | ALDH1A1KDM4EHTTHSD17B10MAPT | |
| SCHEMBL23217100 | 0.80 | MAPT (0.70) | ALDH1A1KDM4EHTTMAPTGAA | |
| SCHEMBL30006441 | 0.79 | MAPT (0.60) | ALDH1A1KDM4EHTTHSD17B10MAPT |
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 |