Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | MMP2 | P08253 | 1/20 | 0.48 |
| ▸ | MMP9 | P14780 | 1/20 | 0.48 |
| ▸ | MMP8 | P22894 | 1/20 | 0.48 |
| ▸ | MMP14 | P50281 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 7/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | TGM2 | P21980 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6269658 | 0.82 | TGM2 (0.54) | CA12CA1MMP2MMP9MMP8 | |
| SCHEMBL6429045 | 0.78 | MMP2 (0.42) | CA12MMP2MMP9MEN1KMT2A | |
| SCHEMBL14935791 | 0.73 | CA12 (0.54) | CA12CA1MMP2MMP9MMP8 | |
| SCHEMBL2034750 | 0.73 | CA12 (0.54) | CA12CA1MMP2MMP9MMP8 | |
| SCHEMBL515914 | 0.73 | CA12 (0.54) | CA12CA1MMP2MMP9MMP8 | |
| SCHEMBL515915 | 0.73 | CA12 (0.54) | CA12CA1MMP2MMP9MMP8 | |
| SCHEMBL8373371 | 0.73 | CA12 (0.54) | CA12CA1MMP2MMP9MMP8 | |
| Water SCHEMBL4754936 | 0.72 | CA12 (0.53) | CA12CA1MMP2MMP9MMP8 | |
| Water SCHEMBL4754935 | 0.72 | CA12 (0.53) | CA12CA1MMP2MMP9MMP8 | |
| Hydrochloric Acid SCHEMBL4754929 | 0.72 | CA12 (0.53) | CA12CA1MMP2MMP9MMP8 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1001764-A4 | HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS | MERCK & CO INC (US) | 2005-08-24 | — | — | EP | claimed |
| JP-2002512625-A | — | — | 2002-04-23 | — | — | JP | claimed |
| EP-1001764-A1 | HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS | Merck & Co., Inc. (a New Jersey corp.) (US) | 2000-05-24 | — | — | EP | claimed |
| WO-1999064395-A1 | HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 1999-12-16 | — | — | WO | claimed |
| WO-1998053814-A1 | HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 1998-12-03 | — | — | WO | claimed |