Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 6/20 | 0.47 |
| ▸ | MEN1 | O00255 | 5/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL20049934 | 0.83 | KMT2A (0.56) | KMT2AMEN1CYP2D6ADRB2ADRB1 | |
| SCHEMBL20049938 | 0.74 | CYP2D6 (0.69) | KMT2AMEN1CYP2D6ADRB2ADRB1 | |
| SCHEMBL9006022 | 0.67 | KMT2A (0.70) | KMT2AMEN1CYP2D6ADRB2ADRB1 | |
| SCHEMBL9006023 | 0.67 | KMT2A (0.70) | KMT2AMEN1CYP2D6ADRB2ADRB1 | |
| SCHEMBL20049942 | 0.67 | ADRB2 (0.51) | KMT2AMEN1CYP2D6ADRB2ADRB1 | |
| SCHEMBL11592418 | 0.66 | KMT2A (0.53) | KMT2AMEN1CYP2D6ADRB2ADRB1 | |
| Hydrochloric Acid SCHEMBL11593188 | 0.65 | KMT2A (0.55) | KMT2AMEN1CYP2D6ADRB2ADRB1 | |
| SCHEMBL9765823 | 0.64 | KMT2A (0.52) | KMT2AMEN1CYP2D6MAPTHTT | |
| SCHEMBL7266770 | 0.64 | PTGS1 (0.68) | KMT2AMEN1CYP2D6ADRB2ADRB1 | |
| SCHEMBL15664293 | 0.64 | NPC1 (0.57) | KMT2AMEN1MAPTHTTSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018067685-A1 | SMALL MOLECULE AMPK ACTIVATORS | UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2018-04-12 | — | — | WO | disclosed |