Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | BCL2 | P10415 | 1/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | S100A4 | P26447 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.34 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25296472 | 0.88 | KMT2A (0.41) | ALDH1A1PKMKDM4EBCL2MAPK1 | |
| SCHEMBL7681081 | 0.85 | MAPT (0.46) | ALDH1A1KDM4EMAPK1RAB9AMEN1 | |
| SCHEMBL25295111 | 0.84 | CYP1A2 (0.39) | ABCB1ABCC1PKMKDM4EPDK1 | |
| SCHEMBL7679706 | 0.84 | MAPT (0.46) | ALDH1A1KDM4EMAPK1RAB9AMEN1 | |
| SCHEMBL7679699 | 0.84 | MAPT (0.46) | ALDH1A1KDM4EMAPK1RAB9AMEN1 | |
| SCHEMBL3207172 | 0.83 | S100A4 (0.37) | ALDH1A1ABCB1ABCC1PKMKDM4E | |
| SCHEMBL19371251 | 0.82 | ALDH1A1 (0.47) | ALDH1A1PKMKDM4EMAPK1RAB9A | |
| SCHEMBL30813068 | 0.82 | ALDH1A1 (0.47) | ALDH1A1PKMKDM4EMAPK1RAB9A | |
| SCHEMBL30558592 | 0.82 | ALDH1A1 (0.64) | ALDH1A1ABCB1ABCC1PKMKDM4E | |
| SCHEMBL395221 | 0.82 | ALDH1A1 (0.64) | ALDH1A1ABCB1ABCC1PKMKDM4E |
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-2011056739-A1 | COMPOUNDS AND METHODS | GLAXOSMITHKLINE LLC (US) | 2011-05-12 | — | — | WO | disclosed |