Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5088784 | 0.84 | ALDH1A1 (0.52) | ALDH1A1KDM4ELMNATSHRNPSR1 | |
| SCHEMBL5198519 | 0.81 | ALDH1A1 (0.45) | ALDH1A1L3MBTL1LMNATSHRNPSR1 | |
| SCHEMBL5499791 | 0.81 | LDHA (0.54) | ALDH1A1ITGB3ITGA2BMEN1KMT2A | |
| SCHEMBL2675317 | 0.80 | ITGA4 (0.49) | KDM4EITGB3ITGA2B | |
| SCHEMBL2675313 | 0.80 | ITGA4 (0.49) | KDM4EITGB3ITGA2B | |
| SCHEMBL2149054 | 0.80 | POLB (0.45) | ALDH1A1TSHRITGB3ITGA2BALOX15 | |
| SCHEMBL2320402 | 0.77 | FPR2 (0.54) | ITGB3ITGA2BKMT2A | |
| SCHEMBL8485515 | 0.77 | FPR2 (0.54) | ITGB3ITGA2BKMT2A | |
| SCHEMBL7862434 | 0.76 | ALDH1A1 (0.50) | ALDH1A1TSHRALOX15GAATDP1 | |
| SCHEMBL7378641 | 0.76 | ALDH1A1 (0.54) | ALDH1A1LMNATSHRNPSR1MEN1 |
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-1576179-A4 | METHODS AND COMPOSITIONS FOR INDUCING APOPTOSIS IN CANCER CELLS | IRM LLC (BM) | 2007-06-06 | — | — | EP | disclosed |
| EP-1576179-A2 | METHODS AND COMPOSITIONS FOR INDUCING APOPTOSIS IN CANCER CELLS | IRM LLC (BM) | 2005-09-21 | — | — | EP | disclosed |
| WO-2004050895-A2 | METHODS AND COMPOSITIONS FOR INDUCING APOPTOSIS IN CANCER CELLS | IRM LLC (BM) | 2004-06-17 | — | — | WO | disclosed |
| EP-1399468-A1 | 2-((N-(2-AMINO-3-(HETEROARYL OR ARYL)PROPIONYL)-AMINOACYL)-AMINO)-ALKYLBORONIC ACID DERIVATIVES | Novartis AG (CH) | 2004-03-24 | — | — | EP | disclosed |
| WO-2002096933-A1 | 2-{[N-(2-AMINO-3-(HETEROARYL OR ARYL)PROPIONYL)-AMINOACYL]-AMINO}-ALKYLBORONIC ACID DERIVATIVES | NOVARTIS AG (CH) | 2002-12-05 | — | — | WO | disclosed |