Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.53 |
| ▸ | CA5A | P35218 | 4/20 | 0.45 |
| ▸ | CA5B | Q9Y2D0 | 4/20 | 0.45 |
| ▸ | CA12 | O43570 | 3/20 | 0.45 |
| ▸ | CA2 | P00918 | 3/20 | 0.45 |
| ▸ | CA4 | P22748 | 3/20 | 0.45 |
| ▸ | CA6 | P23280 | 3/20 | 0.45 |
| ▸ | CA7 | P43166 | 3/20 | 0.45 |
| ▸ | CA9 | Q16790 | 3/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.45 |
| ▸ | CA3 | P07451 | 3/20 | 0.45 |
| ▸ | F13A1 | P00488 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.45 |
| ▸ | THPO | P40225 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MTOR | P42345 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29479378 | 0.89 | CA12 (0.48) | HDAC6CA5ACA5BCA12CA2 | |
| SCHEMBL5548274 | 0.88 | HDAC6 (0.49) | HDAC6CA5ACA5BCA12CA2 | |
| SCHEMBL28726906 | 0.87 | CA12 (0.40) | HDAC6CA12CA2CA9CYP1A2 | |
| SCHEMBL5551432 | 0.85 | HDAC6 (0.46) | HDAC6CA5ACA5BCA12CA2 | |
| SCHEMBL28868686 | 0.85 | CA12 (0.42) | HDAC6CA5ACA5BCA12CA2 | |
| SCHEMBL2093021 | 0.85 | HDAC6 (0.36) | HDAC6CA12CA2CA9CYP1A2 | |
| SCHEMBL5551077 | 0.81 | CA12 (0.52) | HDAC6CA5ACA5BCA12CA2 | |
| SCHEMBL5556865 | 0.81 | CA12 (0.52) | HDAC6CA5ACA5BCA12CA2 | |
| SCHEMBL5552763 | 0.79 | CA12 (0.50) | HDAC6CA5ACA5BCA12CA2 | |
| SCHEMBL27195634 | 0.79 | MAOA (0.52) | HDAC6CA5ACA5BCA12CA2 |
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-20070185330-A1 | Liquids | THE UNIVERSITY OF YORK (GB) | 2007-08-09 | — | — | US | claimed |