Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 10/20 | 0.44 |
| ▸ | CA2 | P00918 | 10/20 | 0.44 |
| ▸ | CA9 | Q16790 | 8/20 | 0.43 |
| ▸ | CA12 | O43570 | 3/20 | 0.42 |
| ▸ | CA7 | P43166 | 3/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.42 |
| ▸ | CA3 | P07451 | 2/20 | 0.42 |
| ▸ | CA4 | P22748 | 2/20 | 0.42 |
| ▸ | CA6 | P23280 | 2/20 | 0.42 |
| ▸ | CA5A | P35218 | 2/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | SOAT1 | P35610 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28670879 | 0.84 | CA1 (0.53) | CA1CA2CA9CA12CA7 | |
| SCHEMBL27486353 | 0.80 | CA1 (0.50) | CA1CA2CA9CA12CA7 | |
| SCHEMBL28838481 | 0.80 | CA1 (0.59) | CA1CA2CA9CA12CA7 | |
| SCHEMBL28628028 | 0.80 | CA1 (0.59) | CA1CA2CA9CA12CA7 | |
| SCHEMBL10784610 | 0.79 | CA1 (0.57) | CA1CA2CA9CA12CA7 | |
| SCHEMBL10779661 | 0.79 | CA1 (0.57) | CA1CA2CA9CA12CA7 | |
| SCHEMBL28797789 | 0.78 | CA1 (0.54) | CA1CA2CA9CA12CA7 | |
| Ammonia Solution, Strong SCHEMBL27883467 | 0.78 | CA1 (0.54) | CA1CA2CA9CA12CA7 | |
| SCHEMBL28805485 | 0.74 | CA2 (0.41) | CA1CA2TP53SOAT1MEN1 | |
| SCHEMBL17728736 | 0.73 | TP53 (0.45) | CA1CA2CA9CA12CA7 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1228803-A | Novel water soluble metal working fluids | MONSANTO CO (US) | 1999-09-15 | — | — | CN | disclosed |