Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 2/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | PKLR | P30613 | 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 | |
|---|---|---|---|---|
| SCHEMBL8784355 | 0.78 | PTGS1 (0.53) | PTGS1TSHRRECQLHTR2CHTR2B | |
| SCHEMBL19286604 | 0.76 | TSHR (0.53) | PTGS1TSHRRECQLALDH1A1LMNA | |
| SCHEMBL1691731 | 0.76 | PTGS1 (0.52) | PTGS1TSHRRECQLHTR2CHTR2B | |
| SCHEMBL8783376 | 0.76 | PTGS1 (0.56) | PTGS1TSHRRECQLHTR2CHTR2B | |
| SCHEMBL17582636 | 0.75 | PTGS1 (0.54) | PTGS1TSHRRECQLHTR2CHTR2B | |
| SCHEMBL20443987 | 0.73 | PTGS1 (0.49) | PTGS1TSHRRECQLHTR2CHTR2B | |
| SCHEMBL17595809 | 0.73 | PTGS1 (0.52) | PTGS1TSHRRECQLHTR2CHTR2B | |
| SCHEMBL18790701 | 0.72 | RECQL (0.48) | PTGS1TSHRRECQLALDH1A1HTT | |
| SCHEMBL17582620 | 0.72 | PTGS1 (0.57) | PTGS1TSHRRECQLALDH1A1LMNA | |
| SCHEMBL6233458 | 0.72 | MAPK14 (0.57) | PTGS1 |
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-2017222952-A1 | 3- HETEROARYL SUBSTITUTED 5-TRIFLUOROMETHYL OXADIAZOLES AS HISTONE DEACETYLASE 6 (HDAC6) INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2017-12-28 | — | — | WO | disclosed |