Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | HTR1D | P28221 | 1/20 | 0.31 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.31 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL2418668 | 0.89 | TP53 (0.40) | CXCR4CYP2D6TP53RAB9AALOX15 | |
| SCHEMBL988394 | 0.86 | CXCR4 (0.50) | CXCR4APOBEC3AAPOBEC3G | |
| Iodide SCHEMBL2419341 | 0.84 | CXCR4 (0.49) | CXCR4APOBEC3AAPOBEC3G | |
| SCHEMBL988717 | 0.82 | CXCR4 (0.44) | CXCR4 | |
| SCHEMBL989088 | 0.76 | CYP2D6 (0.53) | CXCR4CYP2D6TP53RAB9AALOX15 | |
| Trifluoroacetic Acid SCHEMBL2419010 | 0.72 | HRH4 (0.40) | CXCR4 | |
| SCHEMBL12322123 | 0.64 | — | — | |
| SCHEMBL10925690 | 0.64 | — | — | |
| SCHEMBL10884472 | 0.64 | CYP2D6 (0.71) | CYP2D6TP53RAB9AALOX15ALDH1A1 | |
| Bromide SCHEMBL11659698 | 0.63 | CYP2D6 (0.50) | CYP2D6TP53RAB9AALOX15ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8012985-B2 | parasiticides, in particularly against Plasmodium and babesia; antimalarial agents | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) | 2011-09-06 | — | — | US | disclosed |
| EP-2275100-A2 | Compounds with anti-parasitic activity and drugs containing said compounds | Centre National de la Recherche Scientifique (CNRS) (FR) | 2011-01-19 | — | — | EP | disclosed |
| EP-2266555-A2 | Compounds with antiparasitic activity and medicines containing same | Centre National de la Recherche Scientifique (CNRS) (FR) | 2010-12-29 | — | — | EP | disclosed |
| EP-2260840-A2 | Compounds with antiparasitic activity and medicines containing same | Centre National de la Recherche Scientifique (CNRS) (FR) | 2010-12-15 | — | — | EP | disclosed |
| EP-2260841-A2 | Compounds with antiparasitic activity and medicines containing same | Centre National de la Recherche Scientifique (CNRS) (FR) | 2010-12-15 | — | — | EP | disclosed |