Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.34 |
| ▸ | GCGR | P47871 | 1/20 | 0.34 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.34 |
| ▸ | MAPK11 | Q15759 | 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 | |
|---|---|---|---|---|
| SCHEMBL19534098 | 0.96 | ALDH1A1 (0.43) | ALDH1A1MAPK1NOS2SMN1; SMN2NPC1 | |
| SCHEMBL15860822 | 0.91 | NOS2 (0.41) | ALDH1A1NOS2SMN1; SMN2NPC1RAB9A | |
| SCHEMBL21557803 | 0.91 | ALDH1A1 (0.39) | ALDH1A1MAPK1NOS2SMN1; SMN2NPC1 | |
| SCHEMBL18561341 | 0.91 | ALDH1A1 (0.39) | ALDH1A1MAPK1NOS2SMN1; SMN2NPC1 | |
| SCHEMBL12655056 | 0.84 | NPC1 (0.35) | ALDH1A1NOS2SMN1; SMN2NPC1RAB9A | |
| SCHEMBL19534168 | 0.84 | CYP1A2 (0.43) | ALDH1A1NOS2SMN1; SMN2LMNANR1H2 | |
| SCHEMBL18562484 | 0.82 | NOS2 (0.36) | NOS2SMN1; SMN2NPC1RAB9ALMNA | |
| SCHEMBL16716228 | 0.81 | MAOA (0.37) | ALDH1A1SMN1; SMN2NPC1RAB9ANFKB1 | |
| SCHEMBL19486771 | 0.81 | NOTUM (0.35) | NOS2SMN1; SMN2NPC1RAB9ANFKB1 | |
| SCHEMBL18965484 | 0.81 | NOS2 (0.32) | NOS2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3858831-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME | LT Materials Co., Ltd. (KR) | 2021-08-04 | — | — | EP | disclosed |
| EP-3214085-A2 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME | Heesung Material Ltd. (KR) | 2017-09-06 | — | — | EP | disclosed |