Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.70 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.70 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | CCR1 | P32246 | 1/20 | 0.39 |
| ▸ | CCR5 | P51681 | 1/20 | 0.39 |
| ▸ | CCR8 | P51685 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | NCK1 | P16333 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12990554 | 0.93 | CYP1A2 (0.62) | CYP1A2CYP2A6TDP1ALDH1A1CCR1 | |
| SCHEMBL12991139 | 0.92 | CYP1A2 (0.68) | CYP1A2CYP2A6TDP1ALDH1A1CCR1 | |
| SCHEMBL12769101 | 0.86 | CYP1A2 (0.52) | CYP1A2CYP2A6TDP1ALDH1A1CCR1 | |
| SCHEMBL425085 | 0.84 | CYP1A2 (1.00) | CYP1A2CYP2A6TDP1ALDH1A1CCR1 | |
| SCHEMBL29399131 | 0.84 | CYP1A2 (1.00) | CYP1A2CYP2A6TDP1ALDH1A1CCR1 | |
| Ammonia Solution, Strong SCHEMBL27919194 | 0.81 | CYP2A6 (0.93) | CYP1A2CYP2A6TDP1ALDH1A1CCR1 | |
| Hydrochloric Acid SCHEMBL27326113 | 0.78 | CYP1A2 (0.88) | CYP1A2CYP2A6TDP1ALDH1A1HPGD | |
| SCHEMBL2490023 | 0.75 | CYP1A2 (0.87) | CYP1A2CYP2A6TDP1ALDH1A1CCR1 | |
| SCHEMBL4368477 | 0.75 | CYP1A2 (0.87) | CYP1A2CYP2A6TDP1ALDH1A1CCR1 | |
| SCHEMBL6888140 | 0.75 | CYP1A2 (0.87) | CYP1A2CYP2A6TDP1ALDH1A1CCR1 |
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 3 patents. 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 |
| EP-3561894-A1 | DIAMINE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME | Samsung Display Co., Ltd. (KR) | 2019-10-30 | — | — | EP | disclosed |
| EP-3301097-A2 | [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) | 2018-04-04 | — | — | EP | disclosed |