Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.61 |
| ▸ | LMNA | P02545 | 3/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.61 |
| ▸ | ESR1 | P03372 | 5/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.59 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | RECQL | P46063 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | STS | P08842 | 7/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL16066310 | 0.90 | LMNA (0.60) | TSHRLMNACYP1A2CYP2C19CYP3A4 | |
| SCHEMBL6001388 | 0.85 | SLC7A5 (0.54) | TSHRLMNACYP1A2CYP2C19ESR1 | |
| SCHEMBL2271874 | 0.85 | SLC7A5 (0.54) | TSHRLMNACYP1A2CYP2C19ESR1 | |
| SCHEMBL16084879 | 0.85 | SLC7A5 (0.54) | TSHRLMNACYP1A2CYP2C19ESR1 | |
| SCHEMBL14346818 | 0.84 | LDHA (0.51) | CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL14116415 | 0.84 | PPARA (0.48) | LMNACYP1A2CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL12135751 | 0.84 | FAAH (0.45) | TSHRLMNACYP1A2CYP2C19CYP3A4 | |
| Hydrochloric Acid SCHEMBL27566032 | 0.84 | SLC7A5 (0.53) | TSHRLMNACYP1A2CYP2C19ESR1 | |
| SCHEMBL14634305 | 0.84 | ITGB3 (0.42) | TSHRLMNACYP1A2CYP2C19CYP3A4 | |
| Hydrochloric Acid SCHEMBL27566033 | 0.84 | SLC7A5 (0.53) | TSHRLMNACYP1A2CYP2C19ESR1 |
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-2975023-A1 | GUANIDINOBENZOIC ACID ESTER COMPOUND | Astellas Pharma Inc. (JP) | 2016-01-20 | — | — | EP | disclosed |