Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 1/20 | 0.30 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL899244 | 1.00 | TSHR (0.30) | TSHRUSP2ALDH1A1LMNACYP1A2 | |
| SCHEMBL1117432 | 1.00 | TSHR (0.30) | TSHRUSP2ALDH1A1LMNACYP1A2 | |
| SCHEMBL4933544 | 0.98 | ALDH1A1 (0.31) | ALDH1A1 | |
| Methylamine SCHEMBL11565513 | 0.83 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL9416346 | 0.80 | ALDH1A1 (0.30) | ALDH1A1LMNA | |
| SCHEMBL9174583 | 0.78 | KCNA4 (0.32) | ALDH1A1 | |
| SCHEMBL13978035 | 0.76 | MME (0.31) | — | |
| SCHEMBL29170291 | 0.76 | CYP2D6 (0.35) | TSHRCYP2C19 | |
| SCHEMBL8687065 | 0.74 | — | — | |
| SCHEMBL13977379 | 0.73 | MME (0.31) | — |
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-105753706-A | Nitrated hydrocarbons, derivatives, and processes for their manufacture | 安格斯化学公司 | 2016-07-13 | — | — | CN | disclosed |