Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 7/20 | 0.46 |
| ▸ | CA2 | P00918 | 7/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 3/20 | 0.39 |
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6292887 | 0.81 | CYP3A4 (0.53) | CYP3A4CA1CA2TDP1CA12 | |
| Hydrochloric Acid SCHEMBL6289939 | 0.79 | CYP3A4 (0.39) | CYP3A4CA1CA2MEN1KMT2A | |
| SCHEMBL6292867 | 0.76 | CYP3A4 (0.52) | CYP3A4CA1CA2TDP1CA12 | |
| SCHEMBL14102774 | 0.73 | CYP3A4 (0.75) | CYP3A4CA1CA2TDP1MAPT | |
| SCHEMBL6290071 | 0.73 | CYP3A4 (0.56) | CYP3A4CA1CA2TDP1MAPT | |
| SCHEMBL7207224 | 0.73 | TDP1 (0.69) | CYP3A4CA1CA2TDP1CA12 | |
| SCHEMBL17424028 | 0.72 | TDP1 (0.59) | CYP3A4CA1CA2TDP1CA12 | |
| SCHEMBL23616304 | 0.71 | TDP1 (0.61) | CYP3A4CA1CA2TDP1CA12 | |
| SCHEMBL3288412 | 0.71 | TDP1 (0.61) | CYP3A4CA1CA2TDP1CA12 | |
| SCHEMBL6535307 | 0.71 | TDP1 (0.61) | CYP3A4CA1CA2TDP1CA12 |
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-6870065-B2 | Bifunctional boronic compound complexing reagents and complexes | CAMBREX BIO SCIENCE ROCKLAND, INC. (US) | 2005-03-22 | — | — | US | disclosed |