Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | ELANE | P08246 | 2/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.44 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.43 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21228083 | 0.87 | GAA (0.48) | KMT2AMEN1RIPK1GAAELANE | |
| SCHEMBL21228079 | 0.86 | KMT2A (0.42) | KMT2AMEN1RIPK1GAAELANE | |
| SCHEMBL21228493 | 0.85 | KMT2A (0.51) | KMT2AMEN1RIPK1GAAELANE | |
| SCHEMBL21228094 | 0.82 | RIPK1 (0.49) | KMT2AMEN1RIPK1GAAELANE | |
| SCHEMBL21224707 | 0.81 | KMT2A (0.44) | KMT2AMEN1RIPK1GAAELANE | |
| SCHEMBL21228180 | 0.79 | RIPK1 (0.46) | KMT2AMEN1RIPK1GAAELANE | |
| SCHEMBL1189696 | 0.78 | MEN1 (0.48) | KMT2AMEN1GAAELANEEPHX2 | |
| SCHEMBL12672701 | 0.77 | KMT2A (0.57) | KMT2AMEN1RIPK1DDB1CRBN | |
| SCHEMBL13246448 | 0.76 | GAA (0.47) | KMT2AMEN1RIPK1GAAELANE | |
| SCHEMBL10870338 | 0.76 | ELANE (0.55) | KMT2AMEN1RIPK1GAAELANE |
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-2019152681-A1 | SPIRO-LACTAM AND BIS-SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF | APTINYX INC. (US) | 2019-08-08 | — | — | WO | disclosed |