Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.40 |
| ▸ | BCHE | P06276 | 5/20 | 0.38 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.38 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 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 | |
|---|---|---|---|---|
| SCHEMBL1979478 | 0.85 | S1PR3 (0.52) | S1PR1S1PR3S1PR5 | |
| SCHEMBL15042608 | 0.84 | S1PR1 (0.38) | SIGMAR1BCHESLC2A1CNR1CNR2 | |
| SCHEMBL18601658 | 0.84 | SIGMAR1 (0.41) | SIGMAR1BCHESLC2A1CNR1CNR2 | |
| SCHEMBL18601653 | 0.82 | HTR1A (0.45) | SIGMAR1BCHESLC2A1C5AR1CNR1 | |
| SCHEMBL18601657 | 0.81 | BCHE (0.40) | SIGMAR1BCHESLC2A1CNR1CNR2 | |
| SCHEMBL12760665 | 0.80 | PLAU (0.38) | SIGMAR1BCHES1PR1ALDH1A1CYP3A4 | |
| SCHEMBL18601662 | 0.79 | SIGMAR1 (0.40) | SIGMAR1BCHESLC2A1C5AR1CNR1 | |
| SCHEMBL1980086 | 0.78 | S1PR1 (0.40) | C5AR1S1PR1ALDH1A1CYP2C9S1PR3 | |
| SCHEMBL18601654 | 0.77 | HTR1A (0.45) | SIGMAR1BCHESLC2A1 | |
| SCHEMBL18601666 | 0.77 | SLC6A9 (0.39) | SIGMAR1BCHESLC2A1CNR1CNR2 |
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-2504323-B1 | NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY | ALLERGAN INC (US) | 2017-03-15 | — | — | EP | claimed |