Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.50 |
| ▸ | CA2 | P00918 | 4/20 | 0.50 |
| ▸ | CA9 | Q16790 | 3/20 | 0.50 |
| ▸ | HTR6 | P50406 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA6 | P23280 | 1/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | EGFR | P00533 | 2/20 | 0.43 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.43 |
| ▸ | FLT1 | P17948 | 5/20 | 0.43 |
| ▸ | FLT4 | P35916 | 5/20 | 0.43 |
| ▸ | KDR | P35968 | 5/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | THRB | P10828 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10029353 | 0.89 | HTR6 (0.48) | CA1CA2CA9HTR6CA12 | |
| SCHEMBL10029345 | 0.87 | CA1 (0.55) | CA1CA2CA9HTR6CA12 | |
| SCHEMBL10029350 | 0.86 | HTR6 (0.47) | CA1CA2CA9HTR6CA12 | |
| SCHEMBL10029362 | 0.85 | CA1 (0.47) | CA1CA2CA9HTR6CA12 | |
| SCHEMBL10029352 | 0.83 | TSHR (0.60) | CA1CA2CA9HTR6CA12 | |
| SCHEMBL10062715 | 0.83 | CA1 (0.47) | CA1CA2CA9HTR6CA12 | |
| SCHEMBL10062793 | 0.82 | GAA (0.45) | CA1CA2CA9HTR6CA12 | |
| SCHEMBL10062714 | 0.82 | CA1 (0.50) | CA1CA2CA9CA12CA4 | |
| SCHEMBL10029357 | 0.80 | ALDH1A1 (0.46) | CA1CA2CA9HTR6CA12 | |
| SCHEMBL10029361 | 0.79 | CA1 (0.43) | CA1CA2CA9HTR6CA12 |
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-8106205-B2 | N[S(4-aryl-triazol-3-yl)α-mercaptoacetyl]p-amino benzoic acids as HIV reverse transcriptase inhibitors | ARDEA BIOSCIENCES, INC. (US) | 2012-01-31 | — | — | US | disclosed |