Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 2/20 | 0.35 |
| ▸ | CES1 | P23141 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.32 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 3/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2090723 | 0.75 | CYP2A6 (0.38) | CYP2A6CES2CES1ALDH1A1ALOX15 | |
| SCHEMBL2140337 | 0.74 | ALDH1A1 (0.48) | CYP2A6CES2CES1ALDH1A1MAPK1 | |
| SCHEMBL9185763 | 0.74 | APP (0.37) | CES2CES1CA2CA1MAPT | |
| SCHEMBL3096120 | 0.74 | LMNA (0.42) | CYP2A6CES2CES1ALDH1A1ALOX15 | |
| SCHEMBL9184951 | 0.74 | LMNA (0.42) | ALDH1A1ALOX15CA2CA1MAPT | |
| SCHEMBL6553741 | 0.74 | ALDH1A1 (0.58) | CYP2A6ALDH1A1ALOX15MAPK1CA2 | |
| SCHEMBL3087692 | 0.74 | CYP2A6 (0.42) | CYP2A6ALDH1A1ALOX15MAPK1TDP1 | |
| SCHEMBL104821 | 0.72 | ALDH1A1 (0.42) | ALDH1A1ALOX15MAPTTDP1 | |
| SCHEMBL14121955 | 0.70 | ALDH1A1 (0.37) | CYP2A6ALDH1A1MAPK1MAPTTDP1 | |
| SCHEMBL10012596 | 0.69 | TSHR (0.42) | ALDH1A1MAPK1HDAC1CA2CA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100233415-A1 | OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND | MITSUI CHEMICALS, INC. (JP) | 2010-09-16 | — | — | US | disclosed |
| EP-1997856-A1 | OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND | Mitsui Chemicals, Inc. (JP) | 2008-12-03 | — | — | EP | disclosed |