Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | USP2 | O75604 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | HBB | P68871 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HSPB1 | P04792 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21366582 | 0.87 | BRS3 (0.41) | ALDH1A1LMNANPC1RAB9AL3MBTL1 | |
| SCHEMBL21363747 | 0.86 | CDK4 (0.41) | MAPTALDH1A1KMT2AUSP2MEN1 | |
| SCHEMBL21363790 | 0.80 | CYP3A4 (0.55) | MAPTALDH1A1KMT2ANPC1RAB9A | |
| SCHEMBL21363607 | 0.80 | MAOB (0.51) | MAPTALDH1A1KDM4EKMT2ANPC1 | |
| SCHEMBL10456035 | 0.74 | TP53 (0.41) | ALDH1A1KDM4EKMT2AMEN1NPC1 | |
| SCHEMBL18092268 | 0.68 | ALDH1A1 (0.36) | MAPTALDH1A1KDM4EKMT2AUSP2 | |
| SCHEMBL21363658 | 0.67 | GAA (0.40) | ALDH1A1KMT2AMEN1GAALMNA | |
| SCHEMBL21363783 | 0.67 | MAOB (0.51) | MAPTALDH1A1KDM4EKMT2ANPC1 | |
| SCHEMBL21363678 | 0.67 | CDK4 (0.45) | MAPTALDH1A1KMT2AMEN1NPC1 | |
| SCHEMBL12434158 | 0.66 | LMNA (0.52) | MAPTALDH1A1KDM4EKMT2AUSP2 |
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-2019175712-A1 | NEW USES FOR CATECHOL MOLECULES AS INHIBITORS TO GLUTATHIONE S-TRANSFERASE METABOLIC PATHWAYS | BASF CORPORATION (US) | 2019-09-19 | — | — | WO | disclosed |