Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.39 |
| ▸ | LPL | P06858 | 2/20 | 0.38 |
| ▸ | LIPG | Q9Y5X9 | 2/20 | 0.38 |
| ▸ | RORA | P35398 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
| ▸ | RORB | Q92753 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | HTR1D | P28221 | 1/20 | 0.36 |
| ▸ | HTR1B | P28222 | 1/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.35 |
| ▸ | TACR2 | P21452 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9825625 | 1.00 | GPR3 (0.41) | GPR3HTR2ATLR8LPLLIPG | |
| SCHEMBL9826652 | 0.99 | TLR8 (0.40) | GPR3HTR2ATLR8LPLLIPG | |
| SCHEMBL9825519 | 0.95 | CTSS (0.38) | GPR3HTR2ATLR8CTSSCTSK | |
| SCHEMBL9825454 | 0.90 | CTSS (0.41) | HTR2ATLR8CTSSCTSKKDM4E | |
| SCHEMBL9825864 | 0.85 | UCHL3 (0.40) | GPR3HTR2AHTR1AHTR1DHTR1B | |
| SCHEMBL9825167 | 0.84 | CYP1A2 (0.42) | HTR2ACTSSCTSKKDM4EALDH1A1 | |
| SCHEMBL9825720 | 0.83 | UCHL3 (0.41) | GPR3HTR2ATLR8HTR1AHTR1D | |
| SCHEMBL9826023 | 0.83 | GPR3 (0.44) | GPR3HTR2ATLR8LPLLIPG | |
| SCHEMBL9825795 | 0.83 | GPR3 (0.44) | GPR3HTR2ATLR8LPLLIPG | |
| SCHEMBL9826492 | 0.83 | GPR3 (0.44) | GPR3HTR2ATLR8LPLLIPG |
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-5037575-A | Photostability | MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) | 1991-08-06 | — | — | US | disclosed |
| EP-0187015-B1 | SQUARILIUM COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME | MITSUBISHI KASEI CORPORATION (JP) | 1991-05-29 | — | — | EP | disclosed |