Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | LPAR1 | Q92633 | 4/20 | 0.40 |
| ▸ | LPAR3 | Q9UBY5 | 4/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.39 |
| ▸ | PTAFR | P25105 | 1/20 | 0.39 |
| ▸ | HTR1D | P28221 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.39 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.39 |
| ▸ | PRKCG | P05129 | 1/20 | 0.39 |
| ▸ | PRKCB | P05771 | 1/20 | 0.39 |
| ▸ | PRKCA | P17252 | 1/20 | 0.39 |
| ▸ | PRKCH | P24723 | 1/20 | 0.39 |
| ▸ | PRKCI | P41743 | 1/20 | 0.39 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.39 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.39 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.39 |
| ▸ | PRKCD | Q05655 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10554903 | 0.81 | PRKD3 (0.56) | CES2LPAR1LPAR3ADRA1DPTAFR | |
| Hydrochloric Acid SCHEMBL10553341 | 0.81 | PRKD3 (0.56) | CES2LPAR1LPAR3ADRA1DPTAFR | |
| SCHEMBL10552448 | 0.79 | PRKD3 (0.56) | ADRA1DPTAFRHTR1DHTR2CADRA1B | |
| SCHEMBL9720189 | 0.79 | PPARG (0.39) | ADRA1DPTAFRHTR1DHTR2CADRA1B | |
| SCHEMBL9618272 | 0.77 | BBOX1 (0.56) | CES2 | |
| SCHEMBL10554872 | 0.76 | HTT (0.59) | CES2LPAR1LPAR3LPAR2 | |
| SCHEMBL10643626 | 0.74 | CES2 (0.57) | CES2LPAR1LPAR3PRKCALPAR2 | |
| Adipic Acid SCHEMBL8155711 | 0.74 | BBOX1 (0.62) | — | |
| Heptanoate SCHEMBL7551607 | 0.74 | BBOX1 (0.62) | — | |
| Adipic Acid SCHEMBL19327503 | 0.74 | BBOX1 (0.62) | — |
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-5081245-A | Selective antitumor agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-01-14 | — | — | US | disclosed |