Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 5/20 | 0.67 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.57 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | SCN4A | P35499 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12556204 | 1.00 | SLC6A4 (0.67) | SLC6A4SLC6A2SLC6A3LMNAALDH1A1 | |
| Hydrochloric Acid SCHEMBL1765143 | 0.98 | SLC6A4 (0.64) | SLC6A4SLC6A2SLC6A3LMNAALDH1A1 | |
| Hydrochloric Acid SCHEMBL1765141 | 0.98 | SLC6A4 (0.64) | SLC6A4SLC6A2SLC6A3LMNAALDH1A1 | |
| SCHEMBL27228853 | 0.80 | PNMT (0.61) | SLC6A4SLC6A2SLC6A3ALDH1A1MAPT | |
| SCHEMBL27228872 | 0.80 | PNMT (0.61) | SLC6A4SLC6A2SLC6A3ALDH1A1MAPT | |
| SCHEMBL29839204 | 0.80 | PNMT (0.61) | SLC6A4SLC6A2SLC6A3ALDH1A1MAPT | |
| SCHEMBL29839211 | 0.80 | PNMT (0.61) | SLC6A4SLC6A2SLC6A3ALDH1A1MAPT | |
| SCHEMBL27232235 | 0.80 | PNMT (0.61) | SLC6A4SLC6A2SLC6A3ALDH1A1MAPT | |
| SCHEMBL447982 | 0.80 | EPHX1 (0.64) | SLC6A4SLC6A2SLC6A3ALDH1A1OPRD1 | |
| SCHEMBL172932 | 0.80 | EPHX1 (0.64) | SLC6A4SLC6A2SLC6A3ALDH1A1OPRD1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017115329-A1 | C-3 NOVEL TRITERPENONE DERIVATIVES AS HIV INHIBITORS | HETERO RESEARCH FOUNDATION (IN) | 2017-07-06 | — | — | WO | disclosed |