Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 3/20 | 0.38 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CASP1 | P29466 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | CASP7 | P55210 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7041296 | 0.96 | HTR3A (0.40) | HTR3AHTR2CALDH1A1CYP1A2CASP1 | |
| SCHEMBL7044695 | 0.90 | HTR3A (0.40) | HTR3AHTR2CCHRNB2CHRNA4SOS1 | |
| SCHEMBL7036855 | 0.90 | HTR3A (0.40) | HTR3AHTR2CCHRNB2CHRNA4SOS1 | |
| SCHEMBL7042010 | 0.89 | FLT3 (0.41) | HTR3ACYP1A2CHRNB2CHRNA4CYP3A4 | |
| SCHEMBL7046777 | 0.88 | HTR3A (0.39) | HTR3ACHRNB2CHRNA4 | |
| SCHEMBL7037841 | 0.87 | HTR3A (0.38) | HTR3AHPGDMEN1KMT2A | |
| SCHEMBL5621625 | 0.87 | PARP1 (0.41) | HTR3AHTR2C | |
| SCHEMBL7043340 | 0.86 | CHRNB2 (0.39) | HTR3ACHRNB2CHRNA4MEN1KMT2A | |
| SCHEMBL7042935 | 0.85 | HTR3A (0.42) | HTR3AHTR2CSOS1 | |
| SCHEMBL7042964 | 0.85 | HTR3A (0.42) | HTR3AHTR2CSOS1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1133477-B1 | SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS | ABBOTT GMBH & CO KG (DE) | 2004-02-18 | — | — | EP | disclosed |