Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | FDPS | P14324 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.47 |
| ▸ | PPARA | Q07869 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7344641 | 0.98 | ALDH1A1 (0.54) | ALDH1A1TSHRFDPSNPSR1RXFP1 | |
| SCHEMBL8034223 | 0.88 | ALDH1A1 (0.53) | ALDH1A1TSHRFDPSMEN1HPGD | |
| SCHEMBL16930085 | 0.87 | ALDH1A1 (0.59) | ALDH1A1TSHRFDPSNPSR1RXFP1 | |
| SCHEMBL2933054 | 0.85 | FDPS (0.54) | ALDH1A1TSHRFDPSNPSR1RXFP1 | |
| SCHEMBL8089378 | 0.83 | FDPS (0.51) | FDPSHTR2AALOX5PTGS2PPARA | |
| SCHEMBL28228167 | 0.82 | TSHR (0.46) | ALDH1A1TSHRMEN1KMT2AALOX5 | |
| SCHEMBL5077090 | 0.82 | TSHR (0.46) | ALDH1A1TSHRMEN1KMT2AALOX5 | |
| SCHEMBL2432443 | 0.82 | ALDH1A1 (0.66) | ALDH1A1TSHRFDPSNPSR1RXFP1 | |
| SCHEMBL29957052 | 0.82 | ALDH1A1 (0.66) | ALDH1A1TSHRFDPSNPSR1RXFP1 | |
| SCHEMBL13618236 | 0.81 | FDPS (0.49) | ALDH1A1TSHRFDPSNPSR1MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6017919-A | Compounds and pharmaceutical use thereof | JAPAN TOBACCO INC. (JP) | 2000-01-25 | — | — | US | disclosed |
| EP-0887340-A1 | NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF | Japan Tobacco Inc. (JP) | 1998-12-30 | — | — | EP | disclosed |