Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | CRHBP | P24387 | 1/20 | 0.45 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.36 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL2163690 | 1.00 | ALDH1A1 (0.48) | ALDH1A1MAPK1CRHBPCRHR2SLC6A2 | |
| SCHEMBL45718 | 0.83 | ALDH1A1 (0.60) | ALDH1A1MAPK1CRHBPCRHR2SLC6A2 | |
| SCHEMBL16901964 | 0.83 | ALDH1A1 (0.53) | ALDH1A1MAPK1CRHBPCRHR2SLC6A4 | |
| SCHEMBL21892151 | 0.83 | ALDH1A1 (0.53) | ALDH1A1MAPK1CRHBPCRHR2SLC6A4 | |
| SCHEMBL1562747 | 0.83 | ALDH1A1 (0.60) | ALDH1A1MAPK1CRHBPCRHR2SLC6A2 | |
| SCHEMBL2194491 | 0.83 | ALDH1A1 (0.53) | ALDH1A1MAPK1CRHBPCRHR2SLC6A4 | |
| SCHEMBL15358382 | 0.80 | ALDH1A1 (0.65) | ALDH1A1MAPK1CRHBPCRHR2SLC6A2 | |
| Phosphine SCHEMBL28191580 | 0.80 | ALDH1A1 (0.50) | ALDH1A1MAPK1CRHBPCRHR2SLC6A4 | |
| SCHEMBL12996631 | 0.80 | ALDH1A1 (0.57) | ALDH1A1MAPK1CRHBPCRHR2SLC6A2 | |
| SCHEMBL18552200 | 0.80 | ALDH1A1 (0.65) | ALDH1A1MAPK1CRHBPCRHR2SLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110563767-B | Organometallic compound, organic light emitting device and diagnostic composition including the same | 三星电子株式会社 | 2024-01-05 | — | — | CN | disclosed |
| CN-113380954-B | Organic electroluminescent device and electronic apparatus | 陕西莱特光电材料股份有限公司 | 2022-11-29 | — | — | CN | disclosed |
| CN-109415315-B | Compound for organic electric element, organic electric element using same, and electronic device using same | 德山新勒克斯有限公司 | 2022-06-28 | — | — | CN | disclosed |