Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | MET | P08581 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.33 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | DRD4 | P21917 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 3/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | PDE5A | O76074 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL712245 | 0.77 | ALDH1A1 (0.48) | ALDH1A1GAATSHRPOLBLMNA | |
| SCHEMBL27827661 | 0.73 | SIGMAR1 (0.38) | FAAHALDH1A1GAADRD4LMNA | |
| Hydrochloric Acid SCHEMBL27500541 | 0.72 | SIGMAR1 (0.37) | FAAHALDH1A1GAADRD4KDM4E | |
| Bromide SCHEMBL28711468 | 0.72 | SIGMAR1 (0.37) | FAAHALDH1A1GAADRD4LMNA | |
| SCHEMBL25379874 | 0.72 | LMNA (0.41) | ALDH1A1GAATHRBTSHRPOLB | |
| SCHEMBL31220302 | 0.72 | SRPK1 (0.36) | ALDH1A1KCNH2KDM4E | |
| SCHEMBL9097301 | 0.70 | P2RX7 (0.41) | POLBKCNH2KDM4E | |
| Bromide SCHEMBL27466671 | 0.70 | LMNA (0.40) | ALDH1A1GAATHRBTSHRPOLB | |
| SCHEMBL14990909 | 0.70 | DRD4 (0.60) | ALDH1A1DRD2DRD4DRD3TSHR | |
| Bromide SCHEMBL29152398 | 0.69 | P2RX7 (0.40) | POLBKCNH2KDM4E |
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-2788086-B1 | SUBSTITUTED PYRAZOLES AS MGLU5 RECEPTOR MODULATORS | BOEHRINGER INGELHEIM INT (DE) | 2016-10-12 | — | — | EP | disclosed |