Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 3/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | HTR6 | P50406 | 2/20 | 0.43 |
| ▸ | FLT1 | P17948 | 9/20 | 0.41 |
| ▸ | FLT4 | P35916 | 9/20 | 0.41 |
| ▸ | KDR | P35968 | 9/20 | 0.41 |
| ▸ | EGFR | P00533 | 2/20 | 0.41 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10029361 | 0.86 | CA1 (0.43) | TSHRCA1CA2CA9CA12 | |
| SCHEMBL10029353 | 0.85 | HTR6 (0.48) | TSHRSMN1; SMN2CA1CA2CA9 | |
| SCHEMBL10029350 | 0.83 | HTR6 (0.47) | TSHRHTTSMN1; SMN2CA1CA2 | |
| SCHEMBL10062715 | 0.83 | CA1 (0.47) | TSHRSMN1; SMN2CA1CA2CA9 | |
| SCHEMBL10029342 | 0.82 | CA1 (0.50) | TSHRSMN1; SMN2CA1CA2CA9 | |
| SCHEMBL10029362 | 0.82 | CA1 (0.47) | GAAHTTSMN1; SMN2CA1CA2 | |
| SCHEMBL10029345 | 0.81 | CA1 (0.55) | TSHRCA1CA2CA9CA12 | |
| SCHEMBL10029352 | 0.78 | TSHR (0.60) | TSHRSMN1; SMN2CA1CA2CA9 | |
| SCHEMBL10029349 | 0.78 | CA1 (0.42) | TSHRCA1CA2CA9CA12 | |
| SCHEMBL3932801 | 0.75 | GAA (0.57) | GAATSHRHTTSMN1; SMN2CA1 |
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 |