Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | LIPE | Q05469 | 1/20 | 0.40 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.38 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.37 |
| ▸ | AGXT | P21549 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MAOB | P27338 | 3/20 | 0.36 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.36 |
| ▸ | NR4A3 | Q92570 | 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 | |
|---|---|---|---|---|
| SCHEMBL27492197 | 0.81 | TSHR (0.43) | TSHRLMNACYP1A2PTGS1SLC6A2 | |
| SCHEMBL28640090 | 0.79 | LIPE (0.44) | TSHRLMNACYP1A2PTGS1SLC6A2 | |
| SCHEMBL29221508 | 0.79 | LTA4H (0.38) | LMNAALDH1A1CA1CA2 | |
| SCHEMBL28652344 | 0.78 | TSHR (0.48) | TSHRLMNACYP1A2PTGS1SLC6A2 | |
| SCHEMBL27945071 | 0.76 | LTA4H (0.38) | TSHRLMNAALDH1A1L3MBTL1 | |
| SCHEMBL28835751 | 0.75 | LMNA (0.42) | TSHRLMNAPTGS1ALDH1A1 | |
| SCHEMBL28126445 | 0.75 | HDAC1 (0.34) | TSHRLMNACYP2C19ALDH1A1CA1 | |
| SCHEMBL1878004 | 0.75 | CA1 (0.46) | TSHRLMNAALDH1A1CA1CA2 | |
| SCHEMBL3714673 | 0.73 | TSHR (0.43) | TSHRLMNACYP1A2PTGS1SLC6A2 | |
| SCHEMBL28848860 | 0.73 | LMNA (0.36) | TSHRLMNACYP1A2PTGS1ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106232585-B | Triaizine compounds and its medicinal usage | 日本烟草产业株式会社 | 2019-04-02 | — | — | CN | disclosed |
| CN-108368107-A | FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS | 艾伯维公司 | 2018-08-03 | — | — | CN | disclosed |
| CN-106232585-A | Triaizine compounds and its medicinal usage | 日本烟草产业株式会社 | 2016-12-14 | — | — | CN | disclosed |