Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 5/20 | 0.43 |
| ▸ | CA2 | P00918 | 5/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | SETD7 | Q8WTS6 | 2/20 | 0.41 |
| ▸ | STAT3 | P40763 | 2/20 | 0.37 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL412798 | 0.87 | CYP19A1 (0.61) | CYP19A1CA1CA2SETD7HKDC1 | |
| SCHEMBL411958 | 0.82 | HSP90AA1 (0.53) | CYP19A1CA1CA2SETD7CA12 | |
| SCHEMBL23619645 | 0.74 | CA1 (0.47) | CA1CA2EGFRSTAT3ABCG2 | |
| SCHEMBL1711035 | 0.74 | CA1 (0.73) | CA1CA2ABCG2CA12CA14 | |
| SCHEMBL414361 | 0.74 | CKS1B (0.58) | CYP19A1CA1CA2EGFRSETD7 | |
| SCHEMBL1206152 | 0.73 | CA1 (0.49) | CA1CA2EGFRSTAT3ABCG2 | |
| SCHEMBL1711043 | 0.72 | HDAC1 (0.59) | CA1CA2POLBNPC1ALDH1A1 | |
| SCHEMBL17308777 | 0.72 | CA1 (0.80) | CA1CA2NPC1ALDH1A1RAB9A | |
| SCHEMBL22661373 | 0.72 | POLB (0.50) | CA1CA2STAT3ABCG2CA12 | |
| SCHEMBL2338862 | 0.72 | ALDH1A1 (0.48) | CA1CA2EGFRSTAT3ABCG2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120021519-A1 | EFFICIENT INDUCTION OF PLURIPOTENT STEM CELLS USING SMALL MOLECULE COMPOUNDS | PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) | 2012-01-26 | — | — | US | disclosed |
| WO-2010033906-A2 | EFFICIENT INDUCTION OF PLURIPOTENT STEM CELLS USING SMALL MOLECULE COMPOUNDS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2010-03-25 | — | — | WO | disclosed |