Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MAPK7 | Q13164 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4246868 | 0.86 | EPHX2 (0.54) | ALDH1A1MAPK7HRH3MEN1KMT2A | |
| SCHEMBL17076840 | 0.84 | EPHX2 (0.54) | KMT2AEPHX2L3MBTL1 | |
| SCHEMBL20750406 | 0.84 | PKM (0.50) | HSD11B1MAPK7 | |
| SCHEMBL21230134 | 0.80 | HSD11B1 (0.44) | HSD11B1SMN1; SMN2ALDH1A1CA12CA1 | |
| SCHEMBL20192298 | 0.79 | KDM4E (0.46) | ALDH1A1 | |
| SCHEMBL20192521 | 0.76 | ALDH1A1 (0.43) | SMN1; SMN2ALDH1A1LMNACYP3A4DPP4 | |
| SCHEMBL12698680 | 0.75 | LSS (0.46) | SMN1; SMN2ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL2477262 | 0.75 | RORC (0.53) | MEN1KMT2A | |
| SCHEMBL20750455 | 0.74 | NAMPT (0.49) | HSD11B1MAPK7HRH3CREBBPEPHX2 | |
| SCHEMBL15880929 | 0.74 | ALDH1A1 (0.59) | HSD11B1SMN1; SMN2ALDH1A1LMNAKMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012151452-A1 | PYRUVATE KINASE ACTIVATORS FOR USE IN THERAPY | AGIOS PHARMACEUTICALS, INC (US) | 2012-11-08 | — | — | WO | disclosed |
| WO-2012092442-A1 | THERAPEUTIC COMPOUNDS AND COMPOSITIONS | AGIOS PHARMACEUTICALS, INC. (US) | 2012-07-05 | — | — | WO | disclosed |