Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.36 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.36 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 6/20 | 0.35 |
| ▸ | RAB9A | P51151 | 6/20 | 0.35 |
| ▸ | GALR3 | O60755 | 1/20 | 0.35 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.35 |
| ▸ | GPR183 | P32249 | 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 | |
|---|---|---|---|---|
| SCHEMBL3846274 | 0.80 | SMN1; SMN2 (0.41) | TSHRCYP2C19CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL23188748 | 0.76 | TSHR (0.41) | TSHRCYP2C19CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL9726468 | 0.75 | TSHR (0.41) | TSHRCYP2C19CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL23400603 | 0.73 | GABRA1 (0.35) | TSHRCYP2C19CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL2671106 | 0.71 | PLA2G1B (0.35) | TSHRCYP2C19CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL4163656 | 0.69 | NOS3 (0.33) | TSHRCYP2C19CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL9726425 | 0.69 | TSHR (0.40) | TSHRCYP2C19CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL8543872 | 0.68 | FLT1 (0.44) | — | |
| SCHEMBL15565920 | 0.68 | NPC1 (0.50) | TSHRCYP2C19CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL23188713 | 0.68 | TSHR (0.40) | TSHRCYP2C19CYP3A4CYP2C9CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3385253-B1 | CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING | LANTHEUS MEDICAL IMAGING INC (US) | 2021-04-07 | — | — | EP | disclosed |