Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | THRB | P10828 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | HKDC1 | Q2TB90 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5282620 | 0.85 | ADRA2A (0.35) | CA12CA1CA9ALDH1A1CYP3A4 | |
| SCHEMBL10344905 | 0.79 | CA12 (0.55) | CA12CA1CA9ALDH1A1CYP3A4 | |
| SCHEMBL10625457 | 0.78 | NOS2 (0.37) | ADRA2AADRA2BADRA2CMAPK1TSHR | |
| SCHEMBL10344852 | 0.78 | ALDH1A1 (0.48) | CA12CA1CA9ALDH1A1CYP3A4 | |
| SCHEMBL10345008 | 0.76 | ADRA2A (0.38) | ALDH1A1CYP3A4ADRA2AADRA2BADRA2C | |
| SCHEMBL5283739 | 0.76 | RAPGEF4 (0.33) | ADRA2AADRA2BADRA2C | |
| SCHEMBL28095786 | 0.73 | TACR1 (0.37) | CYP3A4MAPTTDP1MAPK1TSHR | |
| SCHEMBL10345207 | 0.72 | CA12 (0.52) | CA12CA1CA9ALDH1A1CYP3A4 | |
| SCHEMBL9809614 | 0.69 | HTR7 (0.44) | ALDH1A1CYP3A4KMT2AMAPK1TSHR | |
| SCHEMBL5742167 | 0.69 | ALDH1A1 (0.68) | CA12CA9ALDH1A1CYP3A4TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0144195-B1 | SQUARAINE COMPOSITIONS | XEROX CORPORATION (US) | 1990-04-11 | — | — | EP | disclosed |
| US-4552822-A | Photoconductive devices with hydroxy containing squaraine compositions | XEROX CORPORATION (US) | 1985-11-12 | — | — | US | disclosed |
| US-4524218-A | FROM SQUARIC ACID AN AROMATIC AMINE, AND A PHENOL OR PHENOL SWUARINE | XEROX CORPORATION (US) | 1985-06-18 | — | — | US | disclosed |
| EP-0144195-A2 | Squaraine compositions | XEROX CORPORATION (US) | 1985-06-12 | — | — | EP | disclosed |