Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | MMP12 | P39900 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8126802 | 0.85 | DDB1 (0.40) | TDP1ALDH1A1L3MBTL1SLC6A2SLC6A4 | |
| SCHEMBL6737982 | 0.85 | DDB1 (0.40) | TDP1ALDH1A1L3MBTL1SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL5862748 | 0.84 | DDB1 (0.39) | TDP1ALDH1A1L3MBTL1SLC6A2SLC6A4 | |
| SCHEMBL9763836 | 0.81 | ALDH1A1 (0.40) | TDP1ALDH1A1L3MBTL1SLC6A2SLC6A3 | |
| SCHEMBL2339284 | 0.74 | TSHR (0.36) | SLC6A2SLC6A4SLC6A3TSHRMEN1 | |
| SCHEMBL31187942 | 0.74 | TDP1 (0.46) | TDP1HCAR2FFAR1ESR1ESR2 | |
| SCHEMBL7341358 | 0.73 | AKR1C1 (0.38) | RAB9AALDH1A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL29274948 | 0.73 | ARG1 (0.50) | TDP1NPC1SMN1; SMN2SLC6A2SLC6A4 | |
| SCHEMBL1819009 | 0.73 | ARG1 (0.50) | TDP1NPC1SMN1; SMN2SLC6A2SLC6A4 | |
| SCHEMBL5635258 | 0.71 | ALDH1A1 (0.42) | ALDH1A1 |
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-4316906-A | HYPOTENSIVE AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1982-02-23 | — | — | US | disclosed |