Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CASP3 | P42574 | 2/20 | 0.40 |
| ▸ | CAPN9 | O14815 | 1/20 | 0.40 |
| ▸ | TGM2 | P21980 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | GSK3B | P49841 | 4/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MITF | O75030 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8001461 | 1.00 | EGFR (0.44) | EGFRMEN1KMT2ACASP3CAPN9 | |
| SCHEMBL6319442 | 0.87 | EGFR (0.54) | EGFRMEN1KMT2ACASP3CAPN9 | |
| SCHEMBL6319460 | 0.87 | EGFR (0.54) | EGFRMEN1KMT2ACASP3CAPN9 | |
| SCHEMBL8009869 | 0.86 | KDR (0.37) | MEN1KMT2AGSK3BPOLBNPC1 | |
| SCHEMBL8009865 | 0.86 | KDR (0.37) | MEN1KMT2AGSK3BPOLBNPC1 | |
| SCHEMBL28414296 | 0.86 | EGFR (0.55) | EGFRMEN1KMT2ACASP3CAPN9 | |
| SCHEMBL29642973 | 0.86 | EGFR (0.55) | EGFRMEN1KMT2ACASP3CAPN9 | |
| SCHEMBL8009947 | 0.85 | EGFR (0.43) | EGFRMEN1KMT2ACASP3CAPN9 | |
| SCHEMBL8009948 | 0.85 | EGFR (0.43) | EGFRMEN1KMT2ACASP3CAPN9 | |
| SCHEMBL6320292 | 0.84 | EGFR (0.51) | EGFRMEN1KMT2ACASP3CAPN9 |
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-6043254-A | ANTIPROLIFERATIVE AGENT; ENZYME INHIBITOR | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2000-03-28 | — | — | US | disclosed |
| WO-1999051590-A1 | SUBSTITUTED INDOLINONES AS KINASE INHIBITORS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 1999-10-14 | — | — | WO | disclosed |