Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | MGAM | O43451 | 1/20 | 0.32 |
| ▸ | SI | P14410 | 1/20 | 0.32 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.31 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1272960 | 0.91 | CA14 (0.49) | CA14CYP1A2HDAC6HDAC1HDAC2 | |
| SCHEMBL7456183 | 0.90 | CA14 (0.40) | CA14CYP1A2HDAC6HDAC1HDAC2 | |
| SCHEMBL29285429 | 0.90 | CA14 (0.47) | CA14CYP1A2HDAC6HDAC1HDAC2 | |
| SCHEMBL6538907 | 0.87 | CA14 (0.46) | CA14CYP1A2HDAC6HDAC1HDAC2 | |
| SCHEMBL20045144 | 0.85 | CA14 (0.39) | CA14CYP1A2HDAC6HDAC1HDAC2 | |
| SCHEMBL15312506 | 0.85 | SMN1; SMN2 (0.38) | CA14CYP1A2HDAC6HDAC1HDAC2 | |
| SCHEMBL5786967 | 0.84 | CA12 (0.37) | CA14CYP1A2HDAC6HDAC1HDAC2 | |
| SCHEMBL6538656 | 0.82 | CA14 (0.39) | CA14CYP1A2HDAC6HDAC1HDAC2 | |
| SCHEMBL7974410 | 0.80 | CA14 (0.36) | CA14CYP1A2HDAC6HDAC1HDAC2 | |
| SCHEMBL16727726 | 0.80 | CA14 (0.53) | CA14HDAC6HDAC1HDAC2L3MBTL1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1044001-A4 | INTEGRIN RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2003-01-29 | — | — | EP | disclosed |
| EP-1044001-A1 | INTEGRIN RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2000-10-18 | — | — | EP | disclosed |
| WO-1999030713-A1 | INTEGRIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1999-06-24 | — | — | WO | disclosed |