Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 1/20 | 0.51 |
| ▸ | SLC9A1 | P19634 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | XDH | P47989 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8896458 | 0.94 | VCAM1 (0.49) | VCAM1SLC9A1ALDH1A1L3MBTL1POLB | |
| SCHEMBL8896076 | 0.93 | VCAM1 (0.48) | VCAM1SLC9A1ALDH1A1L3MBTL1POLB | |
| SCHEMBL22636985 | 0.87 | ALDH1A1 (0.48) | VCAM1ALDH1A1L3MBTL1POLBKDM4E | |
| SCHEMBL30153250 | 0.87 | ALDH1A1 (0.48) | VCAM1ALDH1A1L3MBTL1POLBKDM4E | |
| SCHEMBL31401408 | 0.84 | SLC9A1 (0.53) | SLC9A1SMN1; SMN2KMT2ATSHRPKM | |
| SCHEMBL1763095 | 0.83 | SLC9A1 (0.52) | SLC9A1KDM4EMAPTRBP4 | |
| SCHEMBL29825874 | 0.79 | ALDH1A1 (0.43) | VCAM1ALDH1A1POLBKDM4ESMN1; SMN2 | |
| SCHEMBL7818115 | 0.79 | CHRNB2 (0.44) | VCAM1ALDH1A1L3MBTL1POLBKDM4E | |
| SCHEMBL8584023 | 0.78 | SLC9A1 (0.50) | VCAM1SLC9A1KDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL8918126 | 0.78 | CA12 (0.65) | VCAM1ALDH1A1L3MBTL1POLBKDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5693672-A | 3,4,5-substituted benzoylguanidines, process for their preparation, their use as a medicament or diagnostic and medicament containing them | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-12-02 | — | — | US | disclosed |