Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | GSK3A | P49840 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.34 |
| ▸ | PIN4 | Q9Y237 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CRHBP | P24387 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7363732 | 0.99 | CA12 (0.40) | ALDH1A1KDM4ECA12CA1CA2 | |
| SCHEMBL7397948 | 0.77 | ALDH1A1 (0.35) | ALDH1A1KDM4ECA12CA1CA2 | |
| SCHEMBL15701009 | 0.75 | HDAC6 (0.41) | ALDH1A1KDM4ECA12CA1CA2 | |
| SCHEMBL7358771 | 0.68 | TDP1 (0.42) | KDM4ENFKB1NFKB2RELAKMT2A | |
| SCHEMBL3584205 | 0.68 | GSK3A (0.46) | ALDH1A1KDM4ECA12CA1CA2 | |
| SCHEMBL18649821 | 0.68 | MITF (0.39) | ALDH1A1KDM4ECA12CA1CA2 | |
| SCHEMBL17124972 | 0.66 | MITF (0.37) | ALDH1A1KDM4ECA12CA1CA2 | |
| SCHEMBL6028622 | 0.65 | ROCK2 (0.36) | ALDH1A1TNFLMNATSHR | |
| SCHEMBL14876183 | 0.64 | ALDH1A1 (0.52) | ALDH1A1KDM4EMAPTMEN1RAB9A | |
| SCHEMBL2831481 | 0.64 | ALDH1A1 (0.52) | ALDH1A1KDM4EGSK3AGSK3BPIN1 |
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-1117660-A4 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 2002-01-09 | — | — | EP | disclosed |
| EP-1117660-A1 | THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2001-07-25 | — | — | EP | disclosed |
| US-6117888-A | N-((2-AMINO-6-METHYLPYRID-5YL)METHYLAMINOCARBONYLMETHYL)PYRIDO NE-4-SULFONAMIDES | MERCK & CO., INC. (US) | 2000-09-12 | — | — | US | disclosed |
| WO-2000018762-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2000-04-06 | — | — | WO | disclosed |