Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
| ▸ | HPGD | P15428 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | APAF1 | O14727 | 1/20 | 0.36 |
| ▸ | NSD2 | O96028 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.36 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.36 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 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 | |
|---|---|---|---|---|
| SCHEMBL29280562 | 0.85 | ALDH1A1 (0.38) | ALDH1A1MAPTNPSR1HPGDNPC1 | |
| SCHEMBL19837583 | 0.83 | ALDH1A1 (0.46) | CYP2A6TSHRCYP1A2ALDH1A1MAPT | |
| SCHEMBL27957155 | 0.80 | NPC1 (0.45) | ALDH1A1MAPTKDM4ENPC1RAB9A | |
| SCHEMBL29236243 | 0.79 | PKM (0.36) | CYP2A6TSHRCYP1A2ALDH1A1MAPT | |
| SCHEMBL17515219 | 0.77 | KMT2A (0.38) | TSHRCYP1A2ALDH1A1MAPTGAA | |
| SCHEMBL19837482 | 0.75 | HPRT1 (0.48) | CYP2A6TSHRCYP1A2ALDH1A1MAPT | |
| SCHEMBL28307190 | 0.74 | RAPGEF4 (0.36) | MAPTSMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL28167211 | 0.73 | KMT2A (0.35) | MAPTMEN1KMT2AATM | |
| SCHEMBL28044961 | 0.71 | KMT2A (0.31) | MEN1KMT2AATM | |
| SCHEMBL27973049 | 0.70 | CYP2A6 (0.36) | CYP2A6TSHRCYP1A2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116507146-A | Heterocyclic compound, light-emitting device including the same, and electronic apparatus | 三星显示有限公司 | 2023-07-28 | — | — | CN | disclosed |