Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 7/20 | 0.84 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.84 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.84 |
| ▸ | MEN1 | O00255 | 1/20 | 0.67 |
| ▸ | THRB | P10828 | 1/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.63 |
| ▸ | TSHR | P16473 | 2/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.63 |
| ▸ | PTPRA | P18433 | 1/20 | 0.63 |
| ▸ | PTPRB | P23467 | 1/20 | 0.63 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.59 |
| ▸ | DNASE1L3 | Q13609 | 1/20 | 0.59 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.51 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | SENP2 | Q9HC62 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL13659304 | 0.92 | CYP1A2 (0.84) | CYP1A2HIF1AALDH1A1MEN1THRB | |
| SCHEMBL6699436 | 0.91 | CYP1A2 (1.00) | CYP1A2HIF1AALDH1A1MEN1THRB | |
| SCHEMBL13659231 | 0.91 | CYP1A2 (1.00) | CYP1A2HIF1AALDH1A1MEN1THRB | |
| SCHEMBL4075867 | 0.91 | CYP1A2 (1.00) | CYP1A2HIF1AALDH1A1MEN1THRB | |
| SCHEMBL6699428 | 0.90 | CYP1A2 (0.98) | CYP1A2HIF1AALDH1A1MEN1THRB | |
| SCHEMBL16689771 | 0.88 | CYP1A2 (0.84) | CYP1A2HIF1AALDH1A1MEN1THRB | |
| SCHEMBL27984846 | 0.82 | CYP1A2 (0.83) | CYP1A2HIF1AALDH1A1MEN1THRB | |
| SCHEMBL13659313 | 0.81 | CYP1A2 (0.78) | CYP1A2HIF1AALDH1A1MEN1THRB | |
| SCHEMBL29376345 | 0.81 | CYP1A2 (0.74) | CYP1A2HIF1AALDH1A1MEN1THRB | |
| SCHEMBL29851048 | 0.81 | CYP1A2 (0.81) | CYP1A2HIF1AALDH1A1MEN1THRB |
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-2009128964-A2 | ENSEMBLE-BASED VIRTUAL SCREENING REVEALS NOVEL ANTIVIRAL COMPOUNDS FOR AVIAN INFLUENZA NEURAMINIDASE | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2009-10-22 | — | — | WO | disclosed |