Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.63 |
| ▸ | NAAA | Q02083 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 3/20 | 0.50 |
| ▸ | CA1 | P00915 | 3/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | CA9 | Q16790 | 3/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.44 |
| ▸ | RAD52 | P43351 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11810777 | 1.00 | TSHR (0.63) | TSHRNAAACA12CA1CA2 | |
| SCHEMBL8978821 | 1.00 | TSHR (0.63) | TSHRNAAACA12CA1CA2 | |
| SCHEMBL27719654 | 1.00 | TSHR (0.63) | TSHRNAAACA12CA1CA2 | |
| SCHEMBL3896665 | 1.00 | TSHR (0.63) | TSHRNAAACA12CA1CA2 | |
| SCHEMBL27917694 | 1.00 | TSHR (0.63) | TSHRNAAACA12CA1CA2 | |
| SCHEMBL17780661 | 1.00 | TSHR (0.63) | TSHRNAAACA12CA1CA2 | |
| SCHEMBL9498948 | 1.00 | TSHR (0.63) | TSHRNAAACA12CA1CA2 | |
| SCHEMBL1819190 | 0.98 | TSHR (0.61) | TSHRNAAACA12CA1CA2 | |
| SCHEMBL9497231 | 0.97 | — | — | |
| SCHEMBL891903 | 0.90 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112300099-A | Ketal derivatives of drugs, preparation method thereof, pharmaceutical compositions and uses | 南开大学 | 2021-02-02 | — | — | CN | disclosed |
| US-3970606-A | N-vinyl lactam interpolymers useful as thickening agents | GAF CORPORATION (US) | 1976-07-20 | — | — | US | disclosed |