Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.60 |
| ▸ | TP53 | P04637 | 1/20 | 0.60 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.58 |
| ▸ | CA2 | P00918 | 5/20 | 0.56 |
| ▸ | CA1 | P00915 | 4/20 | 0.56 |
| ▸ | CA12 | O43570 | 2/20 | 0.56 |
| ▸ | CA9 | Q16790 | 2/20 | 0.56 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.52 |
| ▸ | CA3 | P07451 | 1/20 | 0.50 |
| ▸ | TYR | P14679 | 1/20 | 0.50 |
| ▸ | DRD1 | P21728 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA6 | P23280 | 1/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9865481 | 0.79 | TSHR (0.67) | TSHRTP53TRPA1CA2CA1 | |
| SCHEMBL3364649 | 0.79 | TRPA1 (0.86) | TSHRTP53TRPA1CA2CA1 | |
| SCHEMBL70163 | 0.79 | TRPA1 (0.86) | TSHRTP53TRPA1CA2CA1 | |
| SCHEMBL31702246 | 0.79 | TRPA1 (0.86) | TSHRTP53TRPA1CA2CA1 | |
| SCHEMBL70162 | 0.79 | TRPA1 (0.86) | TSHRTP53TRPA1CA2CA1 | |
| Terephthalic Acid SCHEMBL1194495 | 0.78 | TSHR (0.86) | TSHRTP53CA2CA1CA12 | |
| Terephthalic Acid SCHEMBL210852 | 0.78 | TSHR (0.86) | TSHRTP53CA2CA1CA12 | |
| Terephthalic Acid SCHEMBL17628648 | 0.78 | TSHR (0.86) | TSHRTP53CA2CA1CA12 | |
| Terephthalic Acid SCHEMBL5082394 | 0.78 | TSHR (0.86) | TSHRTP53CA2CA1CA12 | |
| Terephthalic Acid SCHEMBL28397286 | 0.78 | TSHR (0.86) | TSHRTP53CA2CA1CA12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2030974-A1 | HETEROCYCLIC NON-NUCLEOSIDE COMPOUNDS, THEIR PEPARATION, PHARMACEUTICAL COMPOSITION AND THEIR USE AS ANTIVIRAL AGENTS | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2009-03-04 | — | — | EP | disclosed |