Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 1/20 | 0.48 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.41 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.41 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.40 |
| ▸ | GSTM2 | P28161 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.40 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.40 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8470343 | 0.87 | HPGD (0.46) | MTNR1AMTNR1BBRD4ALDH1A1POLB | |
| SCHEMBL31381538 | 0.83 | GSTP1 (0.40) | MTNR1AMTNR1BTDP1BRD4CXCR1 | |
| SCHEMBL23977089 | 0.83 | MAPT (0.46) | TDP1CXCR1CXCR2GSTP1GSTM2 | |
| SCHEMBL22303480 | 0.80 | GSTP1 (0.40) | MTNR1AMTNR1BTDP1BRD4CXCR1 | |
| SCHEMBL12470556 | 0.77 | MTNR1A (0.61) | MTNR1AMTNR1BBRD4ALDH1A1POLB | |
| SCHEMBL20545058 | 0.74 | MTNR1A (0.58) | MTNR1AMTNR1BALDH1A1POLBKMT2A | |
| SCHEMBL10588609 | 0.74 | LMNA (0.47) | MTNR1AMTNR1BGSTP1GSTM2ALDH1A1 | |
| SCHEMBL2116085 | 0.74 | CYP1A2 (0.54) | BRD4GSTP1GSTM2ALDH1A1POLB | |
| SCHEMBL23406211 | 0.73 | GSTP1 (0.37) | MTNR1AMTNR1BCXCR1CXCR2GSTP1 | |
| SCHEMBL22493797 | 0.72 | NOTUM (0.41) | MTNR1AMTNR1BBRD4GSTP1GSTM2 |
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-2020156243-A1 | SHP2 INHIBITOR AND APPLICATION THEREOF | 贝达药业股份有限公司 | 2020-08-06 | — | — | WO | disclosed |