Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | TYR | P14679 | 1/20 | 0.46 |
| ▸ | F2 | P00734 | 1/20 | 0.43 |
| ▸ | PDE2A | O00408 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.41 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.41 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.41 |
| ▸ | GRIA4 | P48058 | 2/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 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 | |
|---|---|---|---|---|
| SCHEMBL6683728 | 0.84 | TSHR (0.48) | TSHRLMNATYRPDE2AALDH1A1 | |
| SCHEMBL24209319 | 0.82 | PDE2A (0.63) | TSHRLMNATYRPDE2AALDH1A1 | |
| SCHEMBL13407357 | 0.82 | TSHR (0.46) | TSHRLMNATYRPDE2AALDH1A1 | |
| SCHEMBL2693433 | 0.82 | PDE2A (0.63) | TSHRLMNATYRPDE2AALDH1A1 | |
| SCHEMBL9984888 | 0.82 | PDE2A (0.63) | TSHRLMNATYRPDE2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL14157335 | 0.80 | PDE2A (0.61) | TSHRLMNATYRPDE2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL14121870 | 0.80 | PDE2A (0.61) | TSHRLMNATYRPDE2AALDH1A1 | |
| SCHEMBL29222368 | 0.80 | TSHR (0.44) | TSHRLMNATYRPDE2AALDH1A1 | |
| SCHEMBL11076709 | 0.78 | PDE2A (0.44) | TSHRLMNATYRPDE2AALDH1A1 | |
| SCHEMBL292572 | 0.78 | TSHR (0.52) | TSHRLMNATYRALDH1A1NPC1 |
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-85108274-A | The composition that contains mono-tertiary-alkylated toluenediamine and derivative thereof | — | 1987-02-18 | — | — | CN | claimed |
| CN-85108271-A | Make the preparation method of the polyurethane of linking agent with mono-tertiary-alkylated toluenediamine | — | 1987-02-18 | — | — | CN | claimed |
| US-9657006-B2 | Macrocyclic factor VIIa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-05-23 | — | — | US | disclosed |