Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 5/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 6/20 | 0.39 |
| ▸ | CNR1 | P21554 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | HTR1D | P28221 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL744073 | 0.90 | ALDH1A1 (0.47) | ALDH1A1CYP3A4TSHRHSD17B10TDP1 | |
| SCHEMBL13523944 | 0.87 | ALDH1A1 (0.53) | ALDH1A1CYP3A4TSHRHSD17B10TDP1 | |
| SCHEMBL13523942 | 0.80 | ESR1 (0.60) | ALDH1A1CYP3A4TSHRTDP1ESR1 | |
| SCHEMBL12808399 | 0.75 | ESR1 (0.52) | ALDH1A1HSD17B10TDP1ESR1ESR2 | |
| SCHEMBL13523933 | 0.74 | ESR1 (0.55) | ALDH1A1CYP3A4TSHRESR1ESR2 | |
| SCHEMBL8540203 | 0.74 | CYP1A2 (0.50) | ALDH1A1TDP1ESR1ESR2CYP1A2 | |
| SCHEMBL1143325 | 0.72 | ALDH1A1 (0.57) | ALDH1A1CYP3A4TSHRHSD17B10TDP1 | |
| SCHEMBL31363823 | 0.72 | ALDH1A1 (0.57) | ALDH1A1CYP3A4TSHRHSD17B10TDP1 | |
| SCHEMBL8136159 | 0.72 | ALDH1A1 (0.57) | ALDH1A1CYP3A4TSHRHSD17B10TDP1 | |
| SCHEMBL568623 | 0.71 | L3MBTL1 (0.56) | ALDH1A1CYP3A4TSHRHSD17B10TDP1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2049599-B1 | BASIC BISAZO COMPOUNDS | ARCHROMA IP GMBH (CH) | 2017-02-22 | — | — | EP | disclosed |
| US-8921564-B2 | Basic bisazo compounds | CLARIANT FINANCE (BVI) LTD. (VG) | 2014-12-30 | — | — | US | disclosed |
| US-8921564-B2 | Basic bisazo compounds | CLARIANT FINANCE (BVI) LTD. (VG) | 2014-12-30 | — | — | US | disclosed |
| US-20100000033-A1 | Basic Bisazo Compounds | CLARIANT FINANCE (BVI) LIMITED (VG) | 2010-01-07 | — | — | US | disclosed |
| US-20100000033-A1 | Basic Bisazo Compounds | CLARIANT FINANCE (BVI) LIMITED (VG) | 2010-01-07 | — | — | US | disclosed |
| WO-2008012322-A1 | BASIC BISAZO COMPOUNDS | CLARIANT INTERNATIONAL LTD (CH) | 2008-01-31 | — | — | WO | disclosed |