Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL17027832 | 0.84 | ALDH1A1 (0.46) | ALDH1A1CA1CA2MEN1KMT2A | |
| SCHEMBL17027826 | 0.84 | ALDH1A1 (0.46) | ALDH1A1CA1CA2MEN1KMT2A | |
| SCHEMBL17027708 | 0.84 | ALDH1A1 (0.46) | ALDH1A1CA1CA2MEN1KMT2A | |
| SCHEMBL17027725 | 0.84 | ALDH1A1 (0.46) | ALDH1A1CA1CA2MEN1KMT2A | |
| SCHEMBL13784554 | 0.84 | ALDH1A1 (0.49) | ESR1ESR2ALDH1A1CA1CA2 | |
| SCHEMBL13784560 | 0.84 | ALDH1A1 (0.51) | ESR1ESR2ALDH1A1CA1CA2 | |
| SCHEMBL10001688 | 0.75 | ALDH1A1 (0.55) | ESR1ESR2ALDH1A1MEN1KMT2A | |
| SCHEMBL7898061 | 0.73 | ESR1 (0.62) | ESR1ESR2ALDH1A1TRPV1CYP3A4 | |
| SCHEMBL126492 | 0.73 | ALDH1A1 (0.69) | ESR1ESR2ALDH1A1CA1CA2 | |
| SCHEMBL8020487 | 0.72 | ESR1 (0.61) | ESR1ESR2ALDH1A1TRPV1CYP3A4 |
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-20110097668-A1 | NEGATIVE TONE MOLECULAR GLASS RESISTS AND METHODS OF MAKING AND USING SAME | GEORGIA TECH RESEARCH CORPORATION (US) | 2011-04-28 | — | — | US | disclosed |