Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 12/20 | 0.42 |
| ▸ | CA2 | P00918 | 12/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA7 | P43166 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL276258 | 0.88 | CA2 (0.50) | CA1CA2CA14CA12CA7 | |
| SCHEMBL1869759 | 0.84 | CA1 (0.43) | CA1CA2CA14CA12CA7 | |
| SCHEMBL276801 | 0.79 | CA2 (0.43) | CA1CA2CA14CA12CA7 | |
| SCHEMBL16370379 | 0.79 | TP53 (0.39) | CA1CA2CA14CA12CA7 | |
| SCHEMBL222112 | 0.78 | CA2 (0.46) | CA1CA2CA14CA12CA7 | |
| SCHEMBL28480577 | 0.77 | TP53 (0.47) | CA1CA2CA14CA12CA7 | |
| Hydrochloric Acid SCHEMBL28651381 | 0.76 | CA2 (0.45) | CA1CA2CA14CA12CA7 | |
| SCHEMBL276173 | 0.76 | CA2 (0.47) | CA1CA2CA14CA12CA7 | |
| SCHEMBL18837417 | 0.74 | CA12 (0.35) | CA1CA2CA14CA12CA7 | |
| Pentane SCHEMBL7408982 | 0.74 | CA2 (0.40) | CA1CA2CA14CA12CA7 |
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-104884541-A | Polyoxazoline Copolymers | 3M INNOVATIVE PROPERTIES CO | 2015-09-02 | — | — | CN | disclosed |