Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.64 |
| ▸ | CA2 | P00918 | 4/20 | 0.64 |
| ▸ | PKM | P14618 | 2/20 | 0.55 |
| ▸ | PKLR | P30613 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | CA12 | O43570 | 3/20 | 0.52 |
| ▸ | CA9 | Q16790 | 3/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | HTR6 | P50406 | 2/20 | 0.49 |
| ▸ | HTR1A | P08908 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.49 |
| ▸ | HTR7 | P34969 | 1/20 | 0.49 |
| ▸ | DRD3 | P35462 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL597124 | 0.87 | CA1 (0.61) | CA1CA2CA12CA9CA4 | |
| SCHEMBL3473383 | 0.83 | CA1 (0.53) | CA1CA2CA12CA9CA4 | |
| SCHEMBL13111190 | 0.83 | CA1 (0.53) | CA1CA2CA12CA9CA4 | |
| SCHEMBL3422237 | 0.82 | GFER (0.53) | CA1CA2LMNASMN1; SMN2CA12 | |
| SCHEMBL13429301 | 0.82 | CA1 (0.52) | CA1CA2PKMPKLRLMNA | |
| SCHEMBL3474863 | 0.82 | CA1 (0.50) | CA1CA2CA12CA9CA4 | |
| SCHEMBL13111191 | 0.82 | CA12 (0.55) | CA1CA2PKMCA12CA9 | |
| SCHEMBL3474408 | 0.82 | CA1 (0.52) | CA1CA2LMNACA12CA9 | |
| SCHEMBL13637114 | 0.82 | CA1 (0.52) | CA1CA2CA12CA9CA4 | |
| SCHEMBL13429353 | 0.82 | CA1 (0.60) | CA1CA2LMNASMN1; SMN2CA12 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010045505-A1 | BORON-CONTAINING SMALL MOLECULES AS ANTI-PROTOZOAL AGENTS | ANACOR PHARMACEUTICALS, INC (US) | 2010-04-22 | — | — | WO | disclosed |