Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 3/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 3/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21363678 | 0.86 | CDK4 (0.45) | ALDH1A1MAPTCYP1A2CYP3A4KMT2A | |
| SCHEMBL21363612 | 0.85 | HPGD (0.44) | ALDH1A1LMNAMAPTCYP1A2CYP3A4 | |
| SCHEMBL21363606 | 0.84 | SLC6A4 (0.41) | LMNAMAPTCYP1A2CYP3A4MAOB | |
| SCHEMBL21363605 | 0.84 | POLB (0.48) | ALDH1A1LMNAMAPTCYP1A2CYP3A4 | |
| SCHEMBL14552348 | 0.83 | MAOB (0.54) | ALDH1A1MAPTCYP1A2CYP3A4MAOB | |
| SCHEMBL21363610 | 0.82 | KMT2A (0.41) | LMNAMAPTCYP1A2CYP3A4KMT2A | |
| SCHEMBL21363758 | 0.77 | CYP3A4 (0.63) | ALDH1A1MAPTCYP1A2CYP3A4MAOB | |
| SCHEMBL21363673 | 0.77 | MAPT (0.41) | ALDH1A1LMNAMAPTCYP1A2CYP3A4 | |
| SCHEMBL21363608 | 0.75 | CYP3A4 (0.49) | ALDH1A1LMNAMAPTCYP1A2CYP3A4 | |
| SCHEMBL21363748 | 0.75 | NPC1 (0.46) | ALDH1A1MAPTCYP1A2CYP3A4KMT2A |
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 2 patents. 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 |
| WO-2019175713-A1 | NEW CATECHOL MOLECULES AND THEIR USE AS INHIBITORS TO P450 RELATED METABOLIC PATHWAYS | BASF CORPORATION (US) | 2019-09-19 | — | — | WO | disclosed |