Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 7/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.43 |
| ▸ | HPGD | P15428 | 4/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 5/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.41 |
| ▸ | USP2 | O75604 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21363792 | 0.83 | MEN1 (0.44) | MAPTCYP1A2CYP3A4ALDH1A1HPGD | |
| SCHEMBL21363785 | 0.83 | HPGD (0.45) | MAPTCYP1A2CYP3A4ALDH1A1HPGD | |
| SCHEMBL21363751 | 0.75 | CYP1A2 (0.41) | MAPTCYP1A2CYP3A4ALDH1A1HPGD | |
| SCHEMBL21366573 | 0.75 | NPC1 (0.54) | MAPTCYP1A2CYP3A4ALDH1A1HPGD | |
| SCHEMBL14552348 | 0.72 | MAOB (0.54) | MAPTCYP1A2CYP3A4ALDH1A1HPGD | |
| SCHEMBL28500755 | 0.71 | PTPN5 (0.45) | MAPTALDH1A1HPGDSMN1; SMN2LMNA | |
| SCHEMBL5327057 | 0.70 | MAPT (0.72) | MAPTCYP1A2CYP3A4ALDH1A1HPGD | |
| SCHEMBL16978736 | 0.69 | HSD17B10 (0.53) | MAPTALDH1A1HPGDTSHRTDP1 | |
| SCHEMBL21363749 | 0.69 | CYP3A4 (0.43) | MAPTCYP1A2CYP3A4ALDH1A1HPGD | |
| SCHEMBL1276635 | 0.67 | CYP3A4 (0.55) | MAPTCYP1A2CYP3A4ALDH1A1HPGD |
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 |