Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSTP1 | P09211 | 1/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.40 |
| ▸ | GPR3 | P46089 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.40 |
| ▸ | S1PR5 | Q9H228 | 8/20 | 0.39 |
| ▸ | S1PR4 | O95977 | 6/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 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 | |
|---|---|---|---|---|
| SCHEMBL21180649 | 0.91 | ALDH1A1 (0.44) | GPR3ALOX5ALDH1A1MAPTHPGD | |
| SCHEMBL21180621 | 0.91 | ALDH1A1 (0.44) | GPR3ALOX5ALDH1A1MAPTHPGD | |
| SCHEMBL21180588 | 0.91 | GPR3 (0.42) | GPR3ALOX5ALDH1A1MAPTHPGD | |
| SCHEMBL21180620 | 0.87 | GPR3 (0.44) | GPR84GPR3ALOX5ALDH1A1MAPT | |
| SCHEMBL22155461 | 0.86 | ALDH1A1 (0.41) | GPR3ALOX5ALDH1A1MAPTHPGD | |
| SCHEMBL18907451 | 0.84 | GPR3 (0.44) | GSTP1GPR84GPR3ALOX5S1PR5 | |
| SCHEMBL14725769 | 0.84 | GPR3 (0.44) | GPR3ALOX5ALDH1A1MAPTHPGD | |
| SCHEMBL18907484 | 0.84 | ALDH1A1 (0.45) | GSTP1GPR84GPR3ALOX5S1PR5 | |
| SCHEMBL24362868 | 0.82 | ALDH1A1 (0.44) | GSTP1GPR3ALOX5S1PR5S1PR4 | |
| SCHEMBL21180586 | 0.82 | MAPT (0.36) | GPR3ALOX5ALDH1A1MAPTHPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-10361380-B2 | Heterocyclic compound and organic light-emitting device including the same | SAMSUNG DISPLAY CO., LTD. (KR) | 2019-07-23 | — | — | US | disclosed |