Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | BACE1 | P56817 | 3/20 | 0.49 |
| ▸ | EGFR | P00533 | 2/20 | 0.48 |
| ▸ | GPR35 | Q9HC97 | 4/20 | 0.43 |
| ▸ | SNCA | P37840 | 2/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | TDO2 | P48775 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5929428 | 0.85 | ALDH1A1 (0.56) | TSHRALDH1A1BACE1EGFRGPR35 | |
| SCHEMBL1589671 | 0.83 | BACE1 (0.50) | TSHRALDH1A1BACE1EGFRGPR35 | |
| SCHEMBL4953327 | 0.83 | BACE1 (0.50) | TSHRALDH1A1BACE1EGFRGPR35 | |
| SCHEMBL29901077 | 0.83 | BACE1 (0.50) | TSHRALDH1A1BACE1EGFRGPR35 | |
| SCHEMBL16803417 | 0.81 | BACE1 (0.49) | TSHRALDH1A1BACE1EGFRGPR35 | |
| SCHEMBL9477777 | 0.80 | BACE1 (0.47) | TSHRALDH1A1BACE1EGFRGPR35 | |
| SCHEMBL9192755 | 0.79 | TSHR (0.58) | TSHRALDH1A1GPR35MAPK1TP53 | |
| SCHEMBL67864 | 0.79 | MAPK1 (0.60) | TSHRALDH1A1MAPK1 | |
| SCHEMBL9477038 | 0.79 | CYP1A2 (0.57) | TSHRALDH1A1BACE1EGFRNPSR1 | |
| SCHEMBL68365 | 0.78 | TSHR (0.60) | TSHRALDH1A1GPR35MAPK1SMN1; SMN2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5202336-A | Lipoxygenase inhibitors | BAYER AKTIENGESELLSCHAFT (DE) | 1993-04-13 | — | — | US | disclosed |
| US-5093340-A | Lipoxygenase enzyme inhibitors, antithrombolytic agents | BAYER AKTIENGESELLSCHAFT (DE) | 1992-03-03 | — | — | US | disclosed |
| US-5070096-A | ANTICOAGULANTS, LIPOXYGENASE INHIBITORS | BAYER AKTIENGESELLSCHAFT (DE) | 1991-12-03 | — | — | US | disclosed |
| EP-0261539-A2 | Substituted phenyl-sulphon amides | BAYER AG (DE) | 1988-03-30 | — | — | EP | disclosed |