Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SKP2 | Q13309 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.35 |
| ▸ | TACR2 | P21452 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SHBG | P04278 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16605035 | 0.78 | SKP2 (0.31) | SKP2 | |
| SCHEMBL16605011 | 0.77 | ESR1 (0.32) | ALDH1A1HSD17B10ESR1ADRA2AADORA3 | |
| SCHEMBL16605013 | 0.76 | ESR1 (0.35) | ALDH1A1HSD17B10ESR1ADRA2AADORA3 | |
| SCHEMBL16604958 | 0.74 | ESR1 (0.34) | ALDH1A1HSD17B10ESR1ADRA2AADORA3 | |
| SCHEMBL83869 | 0.69 | CA2 (0.65) | SKP2CA2CA1ALDH1A1HPGD | |
| SCHEMBL15977979 | 0.68 | — | — | |
| SCHEMBL16204075 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL28990998 | 0.66 | CA2 (0.62) | SKP2CA2CA1ALDH1A1HPGD | |
| SCHEMBL10568421 | 0.66 | ALDH1A1 (0.65) | CA2CA1ALDH1A1HPGDHSD17B10 | |
| SCHEMBL9839955 | 0.66 | CA2 (0.62) | SKP2CA2CA1ALDH1A1HPGD |
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-20140243492-A1 | METHOD FOR PRODUCING CONDENSED POLYCYCLIC AROMATIC COMPOUND, AND CONJUGATED POLYMER | MITSUBISHI CHEMICAL CORPORATION (JP) | 2014-08-28 | — | — | US | disclosed |