Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | LPO | P22079 | 4/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6781429 | 0.68 | CA12 (0.35) | TSHRALDH1A1LMNAABL1POLB | |
| SCHEMBL7883710 | 0.63 | MAPT (0.38) | TSHRALDH1A1LMNAABL1POLB | |
| SCHEMBL641068 | 0.61 | ALDH1A1 (0.34) | TSHRALDH1A1LMNAABL1POLB | |
| SCHEMBL9781021 | 0.60 | — | — | |
| SCHEMBL31448336 | 0.59 | ALDH1A1 (0.36) | TSHRALDH1A1LMNAABL1POLB | |
| SCHEMBL27276537 | 0.57 | — | — | |
| SCHEMBL31712146 | 0.57 | ALDH1A1 (0.43) | TSHRALDH1A1LMNAABL1POLB | |
| SCHEMBL1109685 | 0.57 | ALDH1A1 (0.43) | TSHRALDH1A1LMNAHSD17B10LPO | |
| SCHEMBL5151 | 0.56 | — | — | |
| SCHEMBL31503973 | 0.56 | TSHR (0.50) | TSHRALDH1A1LMNAABL1POLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111978270-A | Synthesis method of 5-alkyl- [1,3,4] -oxadiazole-2-formic ether | 山东诚汇双达药业有限公司 | 2020-11-24 | — | — | CN | disclosed |
| CN-107428736-B | Home chemokine inhibitors | 癌症研究科技有限公司 | 2020-08-11 | — | — | CN | disclosed |
| WO-2008157844-A1 | NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE | FOREST LABORATORIES HOLDINGS LIMITED (BM) | 2008-12-24 | — | — | WO | disclosed |