Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100B | P04271 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NOS1 | P29475 | 2/20 | 0.42 |
| ▸ | APAF1 | O14727 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10955324 | 0.94 | S100B (0.60) | S100BALDH1A1CYP3A4TDP1TSHR | |
| SCHEMBL29740664 | 0.94 | S100B (0.60) | S100BALDH1A1CYP3A4TDP1TSHR | |
| SCHEMBL13626628 | 0.85 | TDP1 (0.42) | S100BALDH1A1CYP3A4TDP1TSHR | |
| SCHEMBL5550263 | 0.84 | S100B (0.53) | S100BALDH1A1CYP3A4TDP1TSHR | |
| SCHEMBL15453003 | 0.81 | S100B (0.69) | S100BALDH1A1CYP3A4TDP1TSHR | |
| SCHEMBL10420297 | 0.81 | S100B (0.50) | S100BALDH1A1CYP3A4TDP1TSHR | |
| SCHEMBL5502903 | 0.81 | S100B (0.50) | S100BALDH1A1CYP3A4TDP1TSHR | |
| SCHEMBL16003510 | 0.80 | CYP3A4 (0.41) | ALDH1A1CYP3A4TSHRNOS1HRH3 | |
| SCHEMBL9484916 | 0.80 | S100B (0.53) | S100BALDH1A1CYP3A4TDP1TSHR | |
| SCHEMBL5500237 | 0.80 | S100B (0.49) | S100BALDH1A1CYP3A4TDP1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014134308-A1 | SUBSTITUTED 7-OXO-PYRIDO [2, 3-D] PYRIMIDINES AND THEIR USE FOR THE TREATMENT OF EGFR / ERBB2 RELATED DISORDERS | AMGEN INC. (US) | 2014-09-04 | — | — | WO | disclosed |