Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.46 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL28719261 | 0.90 | TSHR (0.46) | TSHRHTTCYP19A1NCOA3CA1 | |
| Hydrochloric Acid SCHEMBL28964120 | 0.85 | TSHR (0.57) | TSHRHTTCYP19A1CA1CA2 | |
| Water SCHEMBL19410621 | 0.85 | TSHR (0.63) | TSHRHTTCA1CA2ESR2 | |
| SCHEMBL29352197 | 0.85 | TSHR (0.63) | TSHRHTTCA1CA2ESR2 | |
| SCHEMBL2818597 | 0.85 | TSHR (0.63) | TSHRHTTCA1CA2ESR2 | |
| Water SCHEMBL27896186 | 0.85 | TSHR (0.63) | TSHRHTTCA1CA2ESR2 | |
| SCHEMBL57480 | 0.85 | TSHR (0.63) | TSHRHTTCA1CA2ESR2 | |
| Dalfampridine SCHEMBL18491229 | 0.84 | TSHR (0.56) | TSHRHTTCYP19A1NCOA3ALDH1A1 | |
| SCHEMBL3959857 | 0.82 | TSHR (0.60) | TSHRHTTCA1CA2ESR2 | |
| Hydrogen Sulfide SCHEMBL1324202 | 0.82 | TSHR (0.60) | TSHRHTTCA1CA2ESR2 |
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-110167927-B | dicyano-N-heterocyclic compound, light-emitting material, and light-emitting element using same | 国立大学法人九州大学 | 2021-09-24 | — | — | CN | disclosed |