Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | IKBKB | O14920 | 1/20 | 0.32 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | FYN | P06241 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | AHR | P35869 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL6852814 | 0.85 | HPRT1 (0.39) | PDK2ALDH1A1HPGDTSHRHSD17B10 | |
| SCHEMBL3855053 | 0.75 | ALDH1A1 (0.48) | ALDH1A1CYP3A4HPGDTSHRHSD17B10 | |
| SCHEMBL27945675 | 0.74 | ALDH1A1 (0.41) | PDK2ALDH1A1CYP3A4HPGDTSHR | |
| SCHEMBL29814212 | 0.70 | ALDH1A1 (0.61) | ALDH1A1CYP3A4HPGDTSHRHSD17B10 | |
| SCHEMBL2124728 | 0.70 | ALDH1A1 (0.61) | ALDH1A1CYP3A4HPGDTSHRHSD17B10 | |
| SCHEMBL29413360 | 0.70 | ALDH1A1 (0.61) | ALDH1A1CYP3A4HPGDTSHRHSD17B10 | |
| SCHEMBL5334139 | 0.68 | ALDH1A1 (0.56) | ALDH1A1CYP3A4HPGDTSHRHSD17B10 | |
| SCHEMBL3043614 | 0.68 | SLC6A3 (0.41) | ALDH1A1HTT | |
| SCHEMBL25125225 | 0.67 | PTPN11 (0.34) | ALDH1A1CYP3A4HPGDHSD17B10HTT | |
| Phosphine SCHEMBL28240146 | 0.66 | SLC6A3 (0.41) | ALDH1A1HTT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6777111-B1 | HEAT ENDURANCE; LOW CRYSTALLINITY; EMPLOYING CONDENSED RING DERIVATIVE | KABUSHIKI KAISHA CHUO KENKYUSHO (JP) | 2004-08-17 | — | — | US | disclosed |