Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | NT5E | P21589 | 1/20 | 0.48 |
| ▸ | TACR2 | P21452 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 5/20 | 0.43 |
| ▸ | CDC25B | P30305 | 5/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | PTPN2 | P17706 | 2/20 | 0.42 |
| ▸ | PTPN6 | P29350 | 2/20 | 0.42 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1775948 | 0.98 | NT5E (0.48) | TSHRNT5ETACR2LMNAPTPN1 | |
| SCHEMBL1775945 | 0.98 | NT5E (0.48) | TSHRNT5ETACR2LMNAPTPN1 | |
| SCHEMBL22073758 | 0.94 | GJB2 (0.46) | TSHRNT5ETACR2LMNACYP2D6 | |
| SCHEMBL2449854 | 0.94 | TSHR (0.53) | TSHRNT5ETACR2LMNACYP2D6 | |
| SCHEMBL16317729 | 0.94 | TSHR (0.53) | TSHRNT5ETACR2LMNACYP2D6 | |
| SCHEMBL2449852 | 0.94 | TSHR (0.53) | TSHRNT5ETACR2LMNACYP2D6 | |
| SCHEMBL4181388 | 0.93 | NT5E (0.51) | TSHRNT5ETACR2PTPN1CDC25B | |
| SCHEMBL19731824 | 0.93 | NT5E (0.51) | TSHRNT5ETACR2PTPN1CDC25B | |
| SCHEMBL18241576 | 0.93 | NT5E (0.51) | TSHRNT5ETACR2PTPN1CDC25B | |
| SCHEMBL2482599 | 0.93 | NT5E (0.51) | TSHRNT5ETACR2PTPN1CDC25B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020114418-A1 | ANTICOAGULANT PENTASACCHARIDE COMPOUND, COMPOSITION, AND PREPARATION METHOD AND MEDICAL USE THEREOF | 南京正大天晴制药有限公司 | 2020-06-11 | — | — | WO | disclosed |