Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A9 | P48067 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.32 |
| ▸ | IGF1R | P08069 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | MCHR1 | Q99705 | 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 | |
|---|---|---|---|---|
| SCHEMBL21363680 | 0.82 | SLC6A9 (0.41) | SLC6A9KCNH2TMEM97SIGMAR1LMNA | |
| SCHEMBL21363674 | 0.71 | CDK4 (0.44) | SLC6A9LMNAHTTL3MBTL1KMT2A | |
| SCHEMBL6364660 | 0.71 | CYP3A4 (0.39) | LMNAHPGDKDM4EMAPK1 | |
| SCHEMBL21363667 | 0.70 | SLC6A9 (0.36) | SLC6A9LMNAHPGDIGF1RKMT2A | |
| SCHEMBL21366553 | 0.68 | SLC6A9 (0.32) | SLC6A9HTR2ALMNAHPGDGAA | |
| SCHEMBL11085807 | 0.67 | RAB9A (0.42) | SLC6A9LMNAL3MBTL1KMT2AMAOB | |
| SCHEMBL21363665 | 0.67 | NPC1 (0.38) | SLC6A9KCNH2TMEM97SIGMAR1L3MBTL1 | |
| SCHEMBL11086473 | 0.66 | MAOB (0.42) | LMNAHPGDKMT2AMAOBKDM4E | |
| SCHEMBL24008355 | 0.65 | ALDH1A1 (0.40) | LMNAHPGDL3MBTL1MAPK1 | |
| SCHEMBL11082331 | 0.65 | MAOB (0.38) | LMNAHPGDHTTMAOB |
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 |