Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.40 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | XBP1 | P17861 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| Stearic Acid SCHEMBL29116502 | 0.92 | ALDH1A1 (0.41) | TSHRTDP1ALDH1A1HSD17B10ESR1 | |
| SCHEMBL28688920 | 0.86 | TSHR (0.45) | TSHRTDP1L3MBTL1MAPK1CYP3A4 | |
| SCHEMBL1275971 | 0.81 | ALDH1A1 (0.44) | TSHRTDP1L3MBTL1ALDH1A1ESR1 | |
| SCHEMBL28900346 | 0.78 | TSHR (0.45) | TSHRTDP1L3MBTL1MAPK1CYP3A4 | |
| SCHEMBL28462978 | 0.77 | PIN1 (0.41) | TSHRTDP1L3MBTL1MAPK1CYP3A4 | |
| SCHEMBL28333294 | 0.77 | TSHR (0.43) | TSHRTDP1ALDH1A1LMNACYP2C19 | |
| SCHEMBL5691772 | 0.75 | ALDH1A1 (0.43) | TSHRTDP1ALDH1A1GAAATM | |
| Bicarbonate SCHEMBL10884261 | 0.73 | ALDH1A1 (0.46) | TSHRTDP1ALDH1A1ESR1ATM | |
| SCHEMBL1964481 | 0.72 | TSHR (0.44) | TSHRTDP1ALDH1A1ESR1ATM | |
| SCHEMBL27506091 | 0.72 | ESR1 (0.47) | TSHRMAPK1CYP3A4TP53ALDH1A1 |
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-107406597-B | Thermal switch based on polymer compounds | 道达尔研究技术弗吕公司 | 2021-03-09 | — | — | CN | disclosed |