Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | AHR | P35869 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL796182 | 0.78 | HTT (0.46) | DHFRTSHRL3MBTL1MAPTSMN1; SMN2 | |
| SCHEMBL795503 | 0.78 | NR1H4 (0.47) | DHFRTSHRL3MBTL1MAPTADORA3 | |
| SCHEMBL796205 | 0.78 | SMN1; SMN2 (0.40) | DHFRTSHRL3MBTL1SMN1; SMN2RAB9A | |
| SCHEMBL795899 | 0.77 | SMN1; SMN2 (0.39) | DHFRTSHRMAPK1L3MBTL1MAPT | |
| SCHEMBL796880 | 0.77 | SMN1; SMN2 (0.52) | DHFRCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL795411 | 0.76 | PKM (0.39) | DHFRTSHRCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL797024 | 0.76 | MAPT (0.44) | TSHRMAPTADORA2AADORA1SMN1; SMN2 | |
| SCHEMBL795209 | 0.75 | DHFR (0.37) | DHFRTSHRCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL16394559 | 0.75 | DHFR (0.37) | DHFRTSHRCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL795621 | 0.75 | CYP2D6 (0.45) | TSHRCYP2D6MAPK1MAPTSMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012035023-A1 | TRIAZINE-OXADIAZOLES | NOVARTIS AG (CH) | 2012-03-22 | — | — | WO | disclosed |