Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 1/20 | 0.52 |
| ▸ | EGFR | P00533 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 6/20 | 0.46 |
| ▸ | RAB9A | P51151 | 5/20 | 0.46 |
| ▸ | CA12 | O43570 | 5/20 | 0.45 |
| ▸ | CA1 | P00915 | 5/20 | 0.45 |
| ▸ | CA2 | P00918 | 5/20 | 0.45 |
| ▸ | CA9 | Q16790 | 5/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL751293 | 0.82 | ESRRG (0.55) | DGAT1EGFRNPC1RAB9APOLB | |
| SCHEMBL12093593 | 0.82 | POLB (0.61) | DGAT1EGFRNPC1RAB9APOLB | |
| SCHEMBL5896700 | 0.82 | DGAT1 (0.53) | DGAT1EGFRNPC1RAB9APOLB | |
| SCHEMBL5664574 | 0.82 | DGAT1 (0.50) | DGAT1EGFRNPC1RAB9APOLB | |
| SCHEMBL4452189 | 0.82 | CA12 (0.61) | DGAT1EGFRNPC1RAB9ACA12 | |
| SCHEMBL16496708 | 0.82 | NPC1 (0.58) | DGAT1EGFRNPC1RAB9ACA1 | |
| SCHEMBL3523655 | 0.82 | TDP1 (0.60) | NPC1RAB9ACA12CA1CA2 | |
| SCHEMBL14158944 | 0.82 | ALDH1A1 (0.57) | DGAT1EGFRNPC1RAB9ACA12 | |
| SCHEMBL10287615 | 0.81 | CYP1A2 (0.55) | DGAT1NPC1NFKB1SMN1; SMN2MEN1 | |
| SCHEMBL17918213 | 0.81 | DGAT1 (0.49) | DGAT1EGFRNPC1RAB9ACA12 |
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-1703905-B1 | INDOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS IN PARTICULAR IKK2 INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2008-11-12 | — | — | EP | disclosed |
| EP-1703905-A1 | INDOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS IN PARTICULAR IKK2 INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-09-27 | — | — | EP | disclosed |
| WO-2005067923-A1 | INDOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS IN PARTICULAR IKK2 INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2005-07-28 | — | — | WO | disclosed |