Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 5/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | PDE2A | O00408 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.32 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | GMNN | O75496 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1067511 | 0.81 | ALOX15 (0.34) | LMNAPKMALOX15 | |
| SCHEMBL457747 | 0.77 | GPR3 (0.40) | GPR3KIF11CES1CYP1A2SCN5A | |
| SCHEMBL1078010 | 0.77 | CA1 (0.34) | CYP1A2RAB9ACYP3A4HSD17B10KDM4E | |
| SCHEMBL1068998 | 0.76 | GPR3 (0.37) | GPR3KIF11CES1PDE2ACYP1A2 | |
| SCHEMBL622940 | 0.75 | GPR3 (0.41) | GPR3KIF11CES1PDE2ACYP1A2 | |
| SCHEMBL407346 | 0.75 | GPR3 (0.41) | GPR3KIF11CES1PDE2ACYP1A2 | |
| SCHEMBL17593380 | 0.74 | ALDH1A1 (0.37) | GAAHSD17B10KDM4E | |
| SCHEMBL538958 | 0.73 | GPR3 (0.41) | GPR3KIF11CES1PDE2ACYP1A2 | |
| SCHEMBL3076523 | 0.73 | GPR3 (0.40) | GPR3KIF11CES1CYP1A2SCN5A | |
| SCHEMBL1066922 | 0.73 | GPR3 (0.40) | GPR3KIF11CES1PDE2ACYP1A2 |
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-2011006886-A2 | AZOLE COMPOUNDS CARRYING A SULFUR SUBSTITUENT XIV | BASF SE (DE) | 2011-01-20 | — | — | WO | disclosed |
| WO-2010149758-A1 | ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES | BASF SE (DE) | 2010-12-29 | — | — | WO | disclosed |