Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | GSTP1 | P09211 | 9/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.33 |
| ▸ | GSTA2 | P09210 | 4/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | GSTM1 | P09488 | 2/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL21853584 | 0.71 | GSTP1 (0.54) | ALDH1A1GSTP1CYP3A4NLRP3HSD17B10 | |
| SCHEMBL1141683 | 0.71 | ALDH1A1 (0.47) | ALDH1A1GSTP1CYP3A4NLRP3HSD17B10 | |
| SCHEMBL8061402 | 0.67 | ALDH1A1 (0.43) | ALDH1A1GSTP1CYP3A4NLRP3GSTA2 | |
| SCHEMBL10824824 | 0.66 | GSTP1 (0.68) | ALDH1A1GSTP1CYP3A4NLRP3HSD17B10 | |
| SCHEMBL14855693 | 0.65 | — | — | |
| SCHEMBL21946527 | 0.63 | GSTP1 (0.36) | ALDH1A1GSTP1CYP3A4NLRP3GSTA2 | |
| SCHEMBL7027969 | 0.63 | ALDH1A1 (0.36) | ALDH1A1GSTP1CYP3A4NLRP3 | |
| SCHEMBL13931730 | 0.62 | ALDH1A1 (0.35) | ALDH1A1GSTP1CYP3A4NLRP3 | |
| SCHEMBL16610008 | 0.62 | ALDH1A1 (0.38) | ALDH1A1GSTP1CYP3A4HSD17B10KDM4E | |
| SCHEMBL14855871 | 0.62 | — | — |
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-3625232-B1 | SUBSTITUTED METHANOPYRIDO [2, 1-A]ISOINDOLONES AS MACHR MODULATORS FOR TREATING VARIOUS ASSOCIATED PATHOPHYSIOLOGICAL CONDITIONS AND PROCESS FOR PREPARATION THEREOF | COUNCIL SCIENT IND RES (IN) | 2021-06-23 | — | — | EP | disclosed |