Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | IGLV6-57 | P01721 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 2/20 | 0.32 |
| ▸ | SELL | P14151 | 1/20 | 0.31 |
| ▸ | SELP | P16109 | 1/20 | 0.31 |
| ▸ | SELE | P16581 | 1/20 | 0.31 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.31 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL28233363 | 0.84 | IGLV6-57 (0.37) | ALDH1A1ADRA2AADRA2BADRA2CCYP3A4 | |
| SCHEMBL10345012 | 0.81 | ALDH1A1 (0.53) | ALDH1A1CYP3A4HCAR1TSHRACHE | |
| SCHEMBL3234447 | 0.78 | ALDH1A1 (0.57) | ALDH1A1HCAR1TSHRACHESELL | |
| SCHEMBL10345192 | 0.78 | CA12 (0.46) | ALDH1A1ADRA2AADRA2BADRA2CCYP3A4 | |
| SCHEMBL10345008 | 0.78 | ADRA2A (0.38) | ALDH1A1ADRA2AADRA2BADRA2CCYP3A4 | |
| SCHEMBL10625457 | 0.75 | NOS2 (0.37) | ADRA2AADRA2BADRA2CTSHRIGLV6-57 | |
| SCHEMBL22369090 | 0.75 | IGLV6-57 (0.33) | ADRA2AADRA2BADRA2CIGLV6-57 | |
| Butane SCHEMBL11874855 | 0.74 | ALDH1A1 (0.77) | ALDH1A1CYP3A4HCAR1MAOATSHR | |
| SCHEMBL10345207 | 0.73 | CA12 (0.52) | ALDH1A1ADRA2AADRA2BADRA2CCYP3A4 | |
| Propane SCHEMBL11576298 | 0.71 | ALDH1A1 (0.81) | ALDH1A1CYP3A4HCAR1MAOATSHR |
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 |