Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 2/20 | 0.45 |
| ▸ | TAS2R14 | Q9NYV8 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.43 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | RORC | P51449 | 1/20 | 0.41 |
| ▸ | CXCR3 | P49682 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9302302 | 0.89 | CXCR4 (0.48) | CXCR4TAS2R14ALDH1A1MAOAMAOB | |
| SCHEMBL9302642 | 0.87 | ALDH1A1 (0.54) | CXCR4ALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL9302598 | 0.84 | NR1H3 (0.50) | CXCR4ALDH1A1MAOAMAOBCASP3 | |
| SCHEMBL9302737 | 0.82 | CXCR4 (0.46) | CXCR4ALDH1A1MAOAMAOBCASP3 | |
| SCHEMBL9302641 | 0.80 | POLB (0.50) | CXCR4ALDH1A1MAOAMAOBCASP3 | |
| SCHEMBL9301975 | 0.79 | CYP19A1 (0.54) | TP53POLB | |
| SCHEMBL9302028 | 0.74 | CA12 (0.52) | ALDH1A1MEN1KMT2ALMNAMAPT | |
| SCHEMBL9303789 | 0.74 | ESR1 (0.56) | ALDH1A1MEN1KMT2ALMNAMAPT | |
| SCHEMBL9302843 | 0.72 | CNR2 (0.62) | TAS2R14MEN1KMT2ARORCHTR2C | |
| SCHEMBL9302837 | 0.70 | ALDH1A1 (0.59) | ALDH1A1MEN1KMT2ALMNAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-1990009997-A1 | NOVEL BENZIMIDAZOLE DERIVATIVES | BRITISH BIO-TECHNOLOGY LIMITED (GB) | 1990-09-07 | — | — | WO | claimed |
| US-5314880-A | Platelet activating factor antagonist | BRITISH BIO-TECHNOLOGY LIMITED (GB) | 1994-05-24 | — | — | US | disclosed |
| EP-0468971-A1 | NOVEL BENZIMIDAZOLE DERIVATIVES | BRITISH BIO-TECHNOLOGY LIMITED (GB) | 1992-02-05 | — | — | EP | disclosed |
| WO-1990009997-A1 | NOVEL BENZIMIDAZOLE DERIVATIVES | BRITISH BIO-TECHNOLOGY LIMITED (GB) | 1990-09-07 | — | — | WO | disclosed |