Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21363755 | 0.73 | MAPT (0.43) | CYP3A4MAPTCYP1A2PTGS1PTGS2 | |
| SCHEMBL30860765 | 0.73 | PTGS1 (0.44) | MAPTPTGS1PTGS2PIK3CDALDH1A1 | |
| SCHEMBL11696893 | 0.71 | CYP3A4 (0.53) | CYP3A4MAPTCYP1A2ALDH1A1KDM4E | |
| SCHEMBL7797624 | 0.71 | CYP3A4 (0.53) | CYP3A4MAPTCYP1A2ALDH1A1RAB9A | |
| SCHEMBL8420054 | 0.70 | KEAP1 (0.46) | PTGS1ALDH1A1KDM4EKMT2AHPGD | |
| SCHEMBL30860742 | 0.69 | MAPT (0.51) | CYP3A4MAPTCYP1A2PTGS1PTGS2 | |
| SCHEMBL21366573 | 0.69 | NPC1 (0.54) | CYP3A4MAPTCYP1A2PTGS2ALDH1A1 | |
| SCHEMBL21363792 | 0.69 | MEN1 (0.44) | CYP3A4MAPTCYP1A2ALDH1A1KDM4E | |
| SCHEMBL1276635 | 0.69 | CYP3A4 (0.55) | CYP3A4MAPTCYP1A2ALDH1A1MEN1 | |
| SCHEMBL21363786 | 0.69 | MAPT (0.48) | CYP3A4MAPTCYP1A2ALDH1A1KDM4E |
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 |