Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.45 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 4/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.40 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.40 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28257822 | 0.88 | ADRB2 (0.46) | PTGS2ADRB2KDM4EHTR7DRD1 | |
| SCHEMBL4681008 | 0.78 | KMT2A (0.58) | PTGS2ADRB2KDM4EHTR7DRD1 | |
| SCHEMBL27546457 | 0.77 | MMP2 (0.37) | KDM4ETDP1ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL27998263 | 0.77 | ALDH1A1 (0.40) | PTGS2KDM4ETDP1RAB9AALDH1A1 | |
| SCHEMBL4684669 | 0.77 | PTGS2 (0.51) | PTGS2ADRB2KDM4EHTR7DRD1 | |
| SCHEMBL11416839 | 0.76 | PTGS2 (0.46) | PTGS2ADRB2KDM4EHTR7DRD1 | |
| SCHEMBL27611277 | 0.76 | L3MBTL1 (0.42) | KDM4ETDP1L3MBTL1MAPK1ALDH1A1 | |
| SCHEMBL27670558 | 0.76 | PTGS2 (0.38) | PTGS2KDM4EHTR7TDP1ALDH1A1 | |
| SCHEMBL27593115 | 0.76 | NFE2L2 (0.42) | PTGS2KDM4ETDP1L3MBTL1MAPK1 | |
| SCHEMBL27650491 | 0.76 | HTR7 (0.39) | KDM4EHTR7TDP1RAB9ASMN1; SMN2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1654232-A4 | SULFONYL SUBSTITUTED N-(BIARYLMETHYL) AMINOCYCLOPROPANECARBOXAMIDES | MERCK & CO INC (US) | 2008-11-12 | — | — | EP | claimed |
| EP-1654232-A1 | SULFONYL SUBSTITUTED N-(BIARYLMETHYL) AMINOCYCLOPROPANECARBOXAMIDES | Merck & Co., Inc. (a New Jersey corp.) (US) | 2006-05-10 | — | — | EP | claimed |
| WO-2005016886-A1 | SULFONYL SUBSTITUTED N-(BIARYLMETHYL) AMINOCYCLOPROPANECARBOXAMIDES | MERCK & CO., INC. (US) | 2005-02-24 | — | — | WO | claimed |
| CN-1832922-A | Sulfonyl-substituted N- (biarylmethyl) aminocyclopropanecarboxamides | MERCK & CO INC (US) | 2006-09-13 | — | — | CN | disclosed |