Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 5/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
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 | 0.85 | MEN1 (0.44) | HPGDCYP1A2MAPTCYP3A4CYP2C9 | |
| SCHEMBL21363786 | 0.83 | MAPT (0.48) | HPGDCYP1A2MAPTCYP3A4CYP2C9 | |
| SCHEMBL21363746 | 0.74 | USP2 (0.44) | HPGDCYP1A2MAPTCYP3A4L3MBTL1 | |
| SCHEMBL248425 | 0.70 | TAAR1 (0.48) | MAPTL3MBTL1ALDH1A1MEN1KMT2A | |
| SCHEMBL21363751 | 0.69 | CYP1A2 (0.41) | HPGDCYP1A2MAPTCYP3A4CYP2C9 | |
| SCHEMBL21366573 | 0.69 | NPC1 (0.54) | HPGDCYP1A2MAPTCYP3A4CYP2C9 | |
| SCHEMBL13388148 | 0.68 | TAAR1 (0.46) | MAPTL3MBTL1ALDH1A1MEN1KMT2A | |
| Bromide SCHEMBL28225195 | 0.68 | TAAR1 (0.46) | MAPTL3MBTL1ALDH1A1MEN1KMT2A | |
| SCHEMBL28274571 | 0.68 | TAAR1 (0.46) | MAPTL3MBTL1ALDH1A1MEN1KMT2A | |
| SCHEMBL1276635 | 0.67 | CYP3A4 (0.55) | HPGDCYP1A2MAPTCYP3A4ALDH1A1 |
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-2019175713-A1 | NEW CATECHOL MOLECULES AND THEIR USE AS INHIBITORS TO P450 RELATED METABOLIC PATHWAYS | BASF CORPORATION (US) | 2019-09-19 | — | — | WO | disclosed |
| WO-2019175712-A1 | NEW USES FOR CATECHOL MOLECULES AS INHIBITORS TO GLUTATHIONE S-TRANSFERASE METABOLIC PATHWAYS | BASF CORPORATION (US) | 2019-09-19 | — | — | WO | disclosed |