Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL10053162 | 0.88 | CA1 (0.47) | CA1CA2PDE3APDE4APDE4B | |
| SCHEMBL10053178 | 0.81 | CA1 (0.47) | CA1CA2PDE3APDE4APDE4B | |
| SCHEMBL10053161 | 0.80 | CA1 (0.49) | CA1CA2PDE3AKCNH2PDE4A | |
| SCHEMBL10053151 | 0.80 | CA1 (0.47) | CA1CA2PDE3APDE4APDE4B | |
| SCHEMBL10053170 | 0.80 | CA1 (0.41) | CA1CA2PDE3AHTR2ASLC6A4 | |
| SCHEMBL10053182 | 0.79 | CA1 (0.61) | CA1CA2PDE3APDE4APDE4B | |
| SCHEMBL10053279 | 0.79 | CA1 (0.50) | CA1CA2PDE3APDE4APDE4B | |
| SCHEMBL500198 | 0.78 | CA1 (0.59) | CA1CA2PDE3APDE4APDE4B | |
| SCHEMBL10053272 | 0.78 | CA1 (0.47) | CA1CA2PDE3APDE4APDE4B | |
| SCHEMBL10053144 | 0.77 | CA1 (0.46) | CA1CA2PDE3APDE4APDE4B |
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-8106031-B2 | Hydrolytically-resistant boron-containing therapeutics and methods of use | ANACOR PHARMACEUTICALS, INC. (US) | 2012-01-31 | — | — | US | disclosed |