Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | CD44 | P16070 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | DHFR | P00374 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.36 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.36 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.36 |
| ▸ | MYC | P01106 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3179746 | 0.84 | TSHR (0.45) | CYP3A4ALDH1A1TSHRSMN1; SMN2NPC1 | |
| SCHEMBL6757361 | 0.84 | ALDH1A1 (0.50) | CYP3A4TDP1CD44ALDH1A1L3MBTL1 | |
| SCHEMBL15478649 | 0.82 | TSHR (0.43) | CYP3A4ALDH1A1TSHRSMN1; SMN2NPC1 | |
| SCHEMBL6153524 | 0.80 | — | — | |
| SCHEMBL398724 | 0.80 | ALDH1A1 (0.68) | CYP3A4TDP1CD44ALDH1A1L3MBTL1 | |
| SCHEMBL7939779 | 0.78 | CYP3A4 (0.56) | CYP3A4TDP1CD44ALDH1A1L3MBTL1 | |
| SCHEMBL3794848 | 0.78 | CD44 (0.62) | CYP3A4TDP1CD44ALDH1A1L3MBTL1 | |
| SCHEMBL29414659 | 0.78 | CD44 (0.62) | CYP3A4TDP1CD44ALDH1A1L3MBTL1 | |
| SCHEMBL19752710 | 0.78 | ALDH1A1 (0.65) | CYP3A4TDP1CD44ALDH1A1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL28067548 | 0.78 | ALDH1A1 (0.65) | CYP3A4TDP1CD44ALDH1A1L3MBTL1 |
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-4016656-A1 | ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND | Samsung Electronics Co., Ltd. (KR) | 2022-06-22 | — | — | EP | disclosed |