Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 5/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 2/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | TSPO | P30536 | 1/20 | 0.31 |
| ▸ | PYCR1 | P32322 | 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 | |
|---|---|---|---|---|
| SCHEMBL10053174 | 0.91 | CA1 (0.41) | CA1CA2PDE3AACHEPDE4A | |
| SCHEMBL10053172 | 0.91 | CA1 (0.43) | CA1CA2PDE3AMEN1KMT2A | |
| SCHEMBL10053144 | 0.87 | CA1 (0.46) | CA1CA2PDE3APDE4APDE4B | |
| SCHEMBL10053152 | 0.86 | MEN1 (0.41) | CA1CA2PDE3AMEN1KMT2A | |
| SCHEMBL10053184 | 0.84 | CA1 (0.36) | CA1CA2PDE3AMEN1KMT2A | |
| SCHEMBL597009 | 0.82 | CA1 (0.49) | CA1CA2PDE3APDE4APDE4B | |
| SCHEMBL12589683 | 0.82 | CA1 (0.46) | CA1CA2PDE3APDE4APDE4B | |
| SCHEMBL10077708 | 0.81 | CA1 (0.43) | CA1CA2PDE3ACHRNB2CHRNA4 | |
| SCHEMBL10077714 | 0.81 | CA1 (0.40) | CA1CA2PDE3APDE4APDE4B | |
| SCHEMBL10053160 | 0.80 | CA1 (0.47) | CA1CA2PDE3ASLC6A3PDE4A |
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 |