Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 5/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.44 |
| ▸ | CSF1R | P07333 | 1/20 | 0.43 |
| ▸ | KIT | P10721 | 1/20 | 0.43 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | LIPE | Q05469 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL14967989 | 0.88 | PTGS1 (0.51) | PTGS1HDAC1HDAC3HDAC2CSF1R | |
| SCHEMBL1233684 | 0.80 | KCNQ3 (0.60) | PTGS1HDAC1LIPECYP1A2CYP2C19 | |
| SCHEMBL14453684 | 0.78 | PTGS1 (0.61) | PTGS1HDAC1HDAC3HDAC2 | |
| SCHEMBL27040039 | 0.77 | PTGS1 (0.64) | PTGS1HDAC1HDAC2CYP1A2CYP2C19 | |
| SCHEMBL1236023 | 0.75 | PTGS1 (0.51) | PTGS1HDAC1HDAC3HDAC2NCOR2 | |
| SCHEMBL3758034 | 0.74 | PTGS1 (0.58) | PTGS1HDAC1HDAC3HDAC2NCOR2 | |
| SCHEMBL23992191 | 0.73 | HDAC3 (0.52) | PTGS1HDAC1HDAC3HDAC2NCOR2 | |
| SCHEMBL30416650 | 0.73 | HDAC3 (0.63) | PTGS1HDAC1HDAC3HDAC2HDAC6 | |
| SCHEMBL15550450 | 0.73 | HDAC1 (0.72) | PTGS1HDAC1HDAC3HDAC2NCOR2 | |
| SCHEMBL22288985 | 0.72 | KDM4E (0.53) | HDAC1HDAC3HDAC2HDAC6CYP1A2 |
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-2012009217-A1 | SPIROCYCLIC COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2012-01-19 | — | — | WO | disclosed |