Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 5/20 | 0.50 |
| ▸ | CA12 | O43570 | 4/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | MGAM | O43451 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SI | P14410 | 1/20 | 0.41 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17570955 | 0.92 | LMNA (0.46) | LMNAKDM4ETSHRCA12CA14 | |
| SCHEMBL18913048 | 0.92 | LMNA (0.46) | LMNAKDM4ETSHRCA12CA14 | |
| SCHEMBL11223289 | 0.88 | TSHR (0.54) | LMNAKDM4ETSHRCA12CA14 | |
| SCHEMBL22874277 | 0.86 | TSHR (0.52) | LMNAKDM4ETSHREPHX2RECQL | |
| SCHEMBL14902247 | 0.83 | MGAM (0.52) | LMNAKDM4ETSHRCA12CA14 | |
| Hydrochloric Acid SCHEMBL4579136 | 0.80 | CYP1A2 (0.50) | MGAMGAASIMGAM2KMT2A | |
| SCHEMBL1709284 | 0.80 | MEN1 (0.56) | TSHRCA12CA14EPHX2RECQL | |
| SCHEMBL18376239 | 0.80 | TSHR (0.52) | LMNAKDM4ETSHRCA12CA14 | |
| Hydrochloric Acid SCHEMBL7991659 | 0.79 | MLYCD (0.39) | LMNAKDM4ECA12EPHX2RECQL | |
| SCHEMBL22345533 | 0.78 | TSHR (0.50) | LMNAKDM4ETSHRCA12CA14 |
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-109251150-A | A kind of preparation method of 2,3- diaminopropionic acid methyl ester | 宁夏医科大学 | 2019-01-22 | — | — | CN | disclosed |
| EP-2534138-B1 | 1,2,3-TRIAZOLE-BASED PEPTIDOMIMETIC INTEGRIN INHIBITORS FOR THE DIAGNOSIS AND THERAPY OF TUMORS | UNIVERSITA' DEGLI STUDI DI FIRENZE (IT) | 2017-01-25 | — | — | EP | disclosed |