Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 7/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | ATP2A2 | P16615 | 1/20 | 0.56 |
| ▸ | ATP2A3 | Q93084 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | TP53 | P04637 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | TYR | P14679 | 2/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | MIF | P14174 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL6364660 | 0.84 | CYP3A4 (0.39) | ALOX15ALDH1A1SMN1; SMN2CYP1A2KDM4E | |
| SCHEMBL14284004 | 0.80 | PDE4D (0.39) | ALOX15ALDH1A1SMN1; SMN2CYP1A2KDM4E | |
| SCHEMBL14308419 | 0.77 | ESR1 (0.42) | ALOX15ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL18308983 | 0.77 | ALOX5 (0.38) | ALDH1A1SMN1; SMN2CYP1A2KDM4EMAPT | |
| SCHEMBL2268770 | 0.77 | CYP3A4 (0.56) | ALOX15ALDH1A1SMN1; SMN2CYP1A2MAPT | |
| SCHEMBL4995839 | 0.75 | MAPT (0.43) | ALOX15ALDH1A1SMN1; SMN2KDM4EMAPT | |
| SCHEMBL4135020 | 0.75 | CYP3A4 (0.33) | ALDH1A1SMN1; SMN2CYP3A4LMNAHPGD | |
| SCHEMBL12203329 | 0.75 | PTGS2 (0.37) | ALDH1A1CYP1A2MAPTCYP3A4LMNA | |
| SCHEMBL8248216 | 0.75 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2CYP1A2KDM4EMAPT | |
| SCHEMBL7440407 | 0.75 | CYP3A4 (0.33) | ALDH1A1MAPTCYP3A4LMNAHPGD |
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 |