Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAOA | P21397 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | CHKA | P35790 | 1/20 | 0.30 |
| ▸ | FABP4 | P15090 | 1/20 | 0.30 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | CRHBP | P24387 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5281677 | 0.85 | TSHR (0.40) | ADRA2AADRA2BADRA2CCYP3A4ALDH1A1 | |
| SCHEMBL6798216 | 0.79 | TSHR (0.46) | CYP3A4ALDH1A1MAOAHCAR1TSHR | |
| SCHEMBL10344852 | 0.78 | ALDH1A1 (0.48) | ADRA2AADRA2BADRA2CCYP3A4ALDH1A1 | |
| SCHEMBL5283739 | 0.76 | RAPGEF4 (0.33) | ADRA2AADRA2BADRA2CCHKA | |
| SCHEMBL10345192 | 0.76 | CA12 (0.46) | ADRA2AADRA2BADRA2CCYP3A4ALDH1A1 | |
| SCHEMBL10345207 | 0.72 | CA12 (0.52) | ADRA2AADRA2BADRA2CCYP3A4ALDH1A1 | |
| SCHEMBL28096130 | 0.72 | P2RX1 (0.38) | — | |
| SCHEMBL6721319 | 0.69 | TAAR1 (0.51) | CYP3A4ALDH1A1HTR3EHTR3BHTR3A | |
| SCHEMBL5742167 | 0.69 | ALDH1A1 (0.68) | CYP3A4ALDH1A1TSHRHSD17B10 | |
| SCHEMBL4349572 | 0.69 | ALDH1A1 (0.68) | CYP3A4ALDH1A1TSHRHSD17B10 |
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 |