Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 3/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | HTR2B | P41595 | 2/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.39 |
| ▸ | NMT1 | P30419 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28073264 | 0.80 | ALDH1A1 (0.59) | ALDH1A1TSHRHTR2CNMT1SLC6A2 | |
| SCHEMBL18190830 | 0.79 | ALDH1A1 (0.45) | ALDH1A1CACNA1BTSHRHTR2CSIGMAR1 | |
| SCHEMBL785743 | 0.79 | SIGMAR1 (0.54) | ALDH1A1CACNA1BTSHRHTR2CSIGMAR1 | |
| SCHEMBL28299374 | 0.79 | ALDH1A1 (0.65) | ALDH1A1TSHRHTR2CNMT1SLC6A2 | |
| Piperazine SCHEMBL28816742 | 0.78 | ALDH1A1 (0.79) | ALDH1A1TSHRHTR2CSLC6A2GLA | |
| Hydrochloric Acid SCHEMBL3947591 | 0.78 | SIGMAR1 (0.53) | ALDH1A1CACNA1BTSHRHTR2CSIGMAR1 | |
| SCHEMBL28026009 | 0.77 | ALDH1A1 (0.63) | ALDH1A1TSHRHTR2CNMT1SLC6A2 | |
| SCHEMBL28049319 | 0.77 | ALDH1A1 (0.63) | ALDH1A1TSHRHTR2CNMT1SLC6A2 | |
| SCHEMBL28832220 | 0.75 | ALDH1A1 (0.59) | ALDH1A1TSHRHTR2CNMT1 | |
| SCHEMBL28030486 | 0.75 | ALDH1A1 (0.59) | ALDH1A1TSHRHTR2CITGB3ITGA2B |
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-104981457-A | Heterocyclic compound | TAKEDA PHARMACEUTICAL | 2015-10-14 | — | — | CN | disclosed |