Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.30 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.30 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.30 |
| ▸ | HDAC5 | Q9UQL6 | 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 | |
|---|---|---|---|---|
| SCHEMBL31135304 | 0.83 | ALDH1A1 (0.38) | ALDH1A1CYP2D6CA12CA1CA2 | |
| SCHEMBL264829 | 0.81 | — | — | |
| SCHEMBL16978778 | 0.81 | ALDH1A1 (0.37) | ALDH1A1CYP2D6CA12CA1CA2 | |
| SCHEMBL20892855 | 0.79 | ALDH1A1 (0.36) | ALDH1A1CYP2D6CA12CA1CA2 | |
| SCHEMBL12050480 | 0.79 | ALDH1A1 (0.36) | ALDH1A1CYP2D6CA12CA1CA2 | |
| SCHEMBL17181089 | 0.78 | ALDH1A1 (0.35) | ALDH1A1CYP2D6CA12CA1CA2 | |
| SCHEMBL12530825 | 0.75 | TSHR (0.35) | ALDH1A1CYP2D6 | |
| SCHEMBL12530344 | 0.75 | TSHR (0.35) | ALDH1A1CYP2D6 | |
| SCHEMBL238094 | 0.74 | ALDH1A1 (0.47) | ALDH1A1CYP2D6CA12CA1CA2 | |
| SCHEMBL11442628 | 0.73 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8133960-B2 | Biomedical devices | BAUSCH & LOMB INCORPORATED (US) | 2012-03-13 | — | — | US | disclosed |
| US-8083348-B2 | Biomedical devices | BAUSCH & LOMB INCORPORATED (US) | 2011-12-27 | — | — | US | disclosed |
| US-20100317816-A1 | Biomedical devices | BAUSCH & LOMB INCORPORATED (US) | 2010-12-16 | — | — | US | disclosed |
| US-20100317817-A1 | Biomedical devices | BAUSCH & LOMB INCORPORATED (US) | 2010-12-16 | — | — | US | disclosed |
| US-20100315588-A1 | Biomedical devices | BAUSCH & LOMB INCORPORATED (US) | 2010-12-16 | — | — | US | disclosed |