Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 5/20 | 0.50 |
| ▸ | CA1 | P00915 | 4/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CA3 | P07451 | 1/20 | 0.44 |
| ▸ | TYR | P14679 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1878165 | 0.98 | TSHR (0.55) | TSHRTP53TRPA1CA2CA1 | |
| Hydrochloric Acid SCHEMBL9459198 | 0.96 | TSHR (0.52) | TSHRTP53TRPA1CA2CA1 | |
| Ethane SCHEMBL4422870 | 0.94 | TSHR (0.50) | TSHRTP53TRPA1CA2CA1 | |
| SCHEMBL10651763 | 0.92 | TRPA1 (0.64) | TSHRTP53TRPA1CA2CA1 | |
| Hydroquinone SCHEMBL8945771 | 0.90 | CA2 (0.61) | TSHRTP53TRPA1CA2CA1 | |
| SCHEMBL11437168 | 0.87 | PARP10 (0.55) | TSHRTP53TRPA1CA2CA1 | |
| SCHEMBL31650976 | 0.82 | CYP3A4 (0.52) | TSHRTRPA1CYP3A4CES2CES1 | |
| SCHEMBL308386 | 0.82 | CYP3A4 (0.52) | TSHRTRPA1CYP3A4SRD5A2ALDH1A1 | |
| SCHEMBL10488686 | 0.79 | CYP3A4 (0.54) | TSHRTRPA1CA2CA1CA12 | |
| SCHEMBL145056 | 0.79 | ALDH1A1 (0.56) | TSHRTP53TRPA1CYP3A4SRD5A2 |
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-116265474-A | Novel camptothecins compound, pharmaceutical composition and application thereof | 江苏吉贝尔药业股份有限公司 | 2023-06-20 | — | — | CN | disclosed |
| WO-2010096619-A1 | PROCESS, PURIFICATION AND CRYSTALLIZATION OF 1-(4-{[4-(DIMETHYLAMINO)PIPERIDIN-1-YL]CARBONYL}PHENYL)-3-[4-(4,6-DIMORPHOLIN-4-YL-1,3,5-TRIAZIN-2-YL)PHENYL]UREA | WYETH LLC (US) | 2010-08-26 | — | — | WO | disclosed |