Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | RRM1 | P23921 | 1/20 | 0.49 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 4/20 | 0.42 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.42 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.42 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.42 |
| ▸ | ANPEP | P15144 | 1/20 | 0.42 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.42 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.41 |
| ▸ | S1PR4 | O95977 | 4/20 | 0.41 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.40 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6429352 | 1.00 | ALDH1A1 (0.50) | ALDH1A1TSHRRRM1DPP7RELA | |
| SCHEMBL16429465 | 0.92 | ALDH1A1 (0.50) | ALDH1A1TSHRRRM1RELAGNAI3 | |
| SCHEMBL17541817 | 0.92 | ALDH1A1 (0.50) | ALDH1A1TSHRRRM1DPP7RELA | |
| SCHEMBL11269932 | 0.92 | ALDH1A1 (0.50) | ALDH1A1TSHRRRM1DPP7RELA | |
| Hydrochloric Acid SCHEMBL9190767 | 0.90 | TSHR (0.41) | ALDH1A1TSHRRRM1DPP7 | |
| SCHEMBL162867 | 0.90 | SLC6A5 (0.44) | ALDH1A1TSHRRRM1DPP7 | |
| SCHEMBL10972547 | 0.90 | SLC6A5 (0.44) | ALDH1A1TSHRRRM1DPP7 | |
| SCHEMBL3628865 | 0.89 | RELA (0.46) | ALDH1A1TSHRRELAGNAI3GNAO1 | |
| SCHEMBL4169387 | 0.89 | RELA (0.46) | ALDH1A1TSHRRELAGNAI3GNAO1 | |
| SCHEMBL17541814 | 0.87 | ALDH1A1 (0.48) | ALDH1A1TSHRRRM1RELAGNAI3 |
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-3999942-A | N-Acyloyl-N-alkyl-alkylenediamines as dye levelers | CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) | 1976-12-28 | — | — | US | disclosed |