Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 3/20 | 0.38 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.36 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.36 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | EED | O75530 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.35 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.34 |
| ▸ | BAD | Q92934 | 1/20 | 0.34 |
| ▸ | TTBK1 | Q5TCY1 | 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 | |
|---|---|---|---|---|
| SCHEMBL1145960 | 0.72 | ABCG2 (0.50) | ABCG2GSK3BPKMTSHRMAOB | |
| SCHEMBL6206600 | 0.72 | ABCG2 (0.44) | ABCG2GSK3BPKMTSHRMAOB | |
| SCHEMBL19867355 | 0.72 | POLB (0.45) | ABCG2GSK3BPKMTSHRMAOB | |
| SCHEMBL7594061 | 0.72 | ABCG2 (0.55) | ABCG2GSK3BPKMTSHRMAOB | |
| SCHEMBL29706697 | 0.71 | GSK3B (0.54) | ABCG2GSK3BPKMTSHRMAOB | |
| SCHEMBL161792 | 0.71 | GSK3B (0.54) | ABCG2GSK3BPKMTSHRMAOB | |
| SCHEMBL1224045 | 0.70 | ABCG2 (0.52) | ABCG2GSK3BPKMTSHRMAOB | |
| SCHEMBL30521296 | 0.70 | ABCG2 (0.52) | ABCG2GSK3BPKMTSHRMAOB | |
| SCHEMBL1145518 | 0.69 | EED (0.46) | ABCG2GSK3BPKMTSHREED | |
| SCHEMBL2602430 | 0.69 | EED (0.46) | ABCG2GSK3BEEDKDM4CMGAM |
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-2014139325-A1 | THERAPEUTIC COMPOUNDS AND COMPOSITIONS | AGIOS PHARMACEUTICALS, INC. (US) | 2014-09-18 | — | — | WO | disclosed |