Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 4/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.41 |
| ▸ | DHODH | Q02127 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | HK2 | P52789 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.37 |
| ▸ | FABP3 | P05413 | 1/20 | 0.37 |
| ▸ | FABP4 | P15090 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1009498 | 0.86 | TSHR (0.48) | TSHRALDH1A1HPGDHTTKDM4E | |
| SCHEMBL1332988 | 0.85 | KDM4E (0.46) | TSHRALDH1A1HPGDHTTKDM4E | |
| SCHEMBL31435276 | 0.85 | KDM4E (0.46) | TSHRALDH1A1HPGDHTTKDM4E | |
| SCHEMBL7791053 | 0.84 | TSHR (0.47) | TSHRALDH1A1HPGDHTTKDM4E | |
| SCHEMBL7791031 | 0.84 | DHODH (0.43) | TSHRALDH1A1HPGDKDM4EDHODH | |
| SCHEMBL9899201 | 0.84 | NR4A2 (0.46) | TSHRALDH1A1HPGDHTTKDM4E | |
| SCHEMBL1011786 | 0.83 | DHODH (0.45) | TSHRALDH1A1HPGDHTTKDM4E | |
| SCHEMBL9933401 | 0.81 | DHODH (0.42) | TSHRALDH1A1HPGDKDM4EDHODH | |
| SCHEMBL1334088 | 0.79 | DHODH (0.53) | TSHRALDH1A1HPGDHTTKDM4E | |
| SCHEMBL9899615 | 0.78 | PLA2G2A (0.49) | ALDH1A1HPGDHTTKDM4EMAPT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0801750-B1 | NOVEL SUBSTITUTED PHENANTHROPYRANS | PPG IND OHIO INC (US) | 2001-11-07 | — | — | EP | disclosed |
| EP-0801750-A4 | NOVEL SUBSTITUTED PHENANTHROPYRANS | PPG INDUSTRIES INC (US) | 1997-12-10 | — | — | EP | disclosed |
| EP-0801750-A1 | NOVEL SUBSTITUTED PHENANTHROPYRANS | PPG INDUSTRIES, INC. (US) | 1997-10-22 | — | — | EP | disclosed |
| US-5514817-A | PHOTOCHROMIC | PPG INDUSTRIES, INC. (US) | 1996-05-07 | — | — | US | disclosed |
| WO-1996004576-A1 | NOVEL SUBSTITUTED PHENANTHROPYRANS | PPG INDUSTRIES, INC. (US) | 1996-02-15 | — | — | WO | disclosed |