Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | LIPE | Q05469 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | MPO | P05164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2556814 | 0.80 | MPO (0.44) | LIPEGAACYP2D6TSHRLIPG | |
| SCHEMBL2147364 | 0.77 | CYP3A4 (0.56) | CYP2D6TSHRKMT2AMEN1ALDH1A1 | |
| SCHEMBL28983737 | 0.76 | KDM4E (0.53) | LIPELIPGKMT2AMEN1ALDH1A1 | |
| SCHEMBL21352377 | 0.76 | ALDH1A1 (0.55) | LIPELIPGKMT2AMEN1ALDH1A1 | |
| SCHEMBL29504703 | 0.76 | ALDH1A1 (0.55) | LIPELIPGKMT2AMEN1ALDH1A1 | |
| SCHEMBL2561014 | 0.75 | DRD2 (0.50) | LIPELIPGKMT2AMEN1ALDH1A1 | |
| SCHEMBL29952724 | 0.75 | ALDH1A1 (0.58) | LIPETSHRLIPGKMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL29954918 | 0.75 | ALDH1A1 (0.53) | LIPELIPGKMT2AMEN1ALDH1A1 | |
| SCHEMBL2464403 | 0.75 | ALDH1A1 (0.58) | LIPETSHRLIPGKMT2AMEN1 | |
| SCHEMBL2559735 | 0.74 | LIPE (0.57) | MAPTLIPELIPGKMT2AALDH1A1 |
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-1562934-B1 | AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN | MERCK SHARP & DOHME (GB) | 2008-03-26 | — | — | EP | disclosed |