Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.69 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | HPGD | P15428 | 3/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.52 |
| ▸ | ACHE | P22303 | 5/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.34 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL597771 | 0.86 | CYP1A2 (0.60) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL29379845 | 0.86 | CYP1A2 (0.60) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL29845609 | 0.86 | CYP1A2 (0.60) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| O-Xylene SCHEMBL7555306 | 0.83 | CYP2A6 (0.91) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL29470563 | 0.82 | CYP1A2 (1.00) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL597735 | 0.82 | CYP1A2 (1.00) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL598230 | 0.81 | CYP1A2 (0.65) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| Ammonia Solution, Strong SCHEMBL27919256 | 0.80 | CYP1A2 (0.95) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL588278 | 0.79 | CYP1A2 (0.84) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL11629826 | 0.79 | CYP1A2 (0.75) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3301097-B1 | [1]BENZOTHIENO[3',2':4,5]IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN ORGANIC LIGHT-EMITTING DEVICES (OLEDS) | SAMSUNG DISPLAY CO LTD (KR) | 2020-08-19 | — | — | EP | disclosed |