Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | PDE5A | O76074 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | RXRA | P19793 | 1/20 | 0.32 |
| ▸ | RXRB | P28702 | 1/20 | 0.32 |
| ▸ | RXRG | P48443 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21363674 | 0.72 | CDK4 (0.44) | NPC1RAB9AKMT2ATDP1L3MBTL1 | |
| SCHEMBL21363676 | 0.67 | SLC6A9 (0.45) | KMT2AL3MBTL1MAOBSLC6A9KCNH2 | |
| SCHEMBL21363680 | 0.66 | SLC6A9 (0.41) | RAB9AKMT2AL3MBTL1MAOBSLC6A9 | |
| SCHEMBL21363788 | 0.66 | MAOB (0.55) | NPC1RAB9AKMT2ATDP1L3MBTL1 | |
| SCHEMBL21366597 | 0.65 | MAOB (0.57) | NPC1RAB9AKMT2ATDP1L3MBTL1 | |
| SCHEMBL21363672 | 0.64 | MAOB (0.52) | NPC1RAB9AKMT2ATDP1L3MBTL1 | |
| SCHEMBL11090673 | 0.63 | EDNRA (0.43) | RAB9A | |
| SCHEMBL11091581 | 0.63 | HTR2A (0.43) | RAB9AKMT2ACYP3A4 | |
| SCHEMBL24008355 | 0.63 | ALDH1A1 (0.40) | L3MBTL1CYP3A4 | |
| SCHEMBL11090972 | 0.62 | KMT2A (0.55) | KMT2A |
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 |