Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A9 | P48067 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 5/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 5/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 3/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | INSR | P06213 | 1/20 | 0.30 |
| ▸ | IGF1R | P08069 | 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 | |
|---|---|---|---|---|
| SCHEMBL21366553 | 0.73 | SLC6A9 (0.32) | SLC6A9LMNAHPGDMAPTUSP2 | |
| SCHEMBL21363680 | 0.73 | SLC6A9 (0.41) | SLC6A9LMNAHPGDRAB9AALDH1A1 | |
| SCHEMBL11785391 | 0.72 | MAPT (0.51) | LMNAHPGDNPC1RAB9APOLB | |
| SCHEMBL11785395 | 0.72 | MAPT (0.51) | LMNAHPGDNPC1RAB9APOLB | |
| SCHEMBL18562142 | 0.71 | PTGDR2 (0.41) | LMNAHPGDPTGDR2ALDH1A1CYP3A4 | |
| SCHEMBL21363676 | 0.70 | SLC6A9 (0.45) | SLC6A9LMNAHPGDKDM4EKMT2A | |
| SCHEMBL21363674 | 0.69 | CDK4 (0.44) | SLC6A9LMNANPC1RAB9AALDH1A1 | |
| SCHEMBL6364660 | 0.68 | CYP3A4 (0.39) | LMNAHPGDALDH1A1CYP3A4MAPT | |
| SCHEMBL18562143 | 0.66 | LMNA (0.51) | LMNAHPGDPTGDR2ALDH1A1POLB | |
| SCHEMBL11787336 | 0.66 | KMT2A (0.53) | LMNAHPGDNPC1RAB9APOLB |
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 |