Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.57 |
| ▸ | CASR | P41180 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22899588 | 0.82 | SIGMAR1 (0.65) | SIGMAR1CASRPOLBMEN1KMT2A | |
| SCHEMBL143708 | 0.82 | SIGMAR1 (0.65) | SIGMAR1CASRPOLBMEN1KMT2A | |
| SCHEMBL21228075 | 0.81 | SIGMAR1 (0.53) | SIGMAR1CASRPOLBMEN1KMT2A | |
| Bromide SCHEMBL1331742 | 0.80 | SIGMAR1 (0.63) | SIGMAR1CASRPOLBMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL1331235 | 0.80 | SIGMAR1 (0.63) | SIGMAR1POLBMEN1KMT2AMAPT | |
| Ammonia Solution, Strong SCHEMBL15917374 | 0.80 | SIGMAR1 (0.63) | SIGMAR1CASRPOLBMEN1KMT2A | |
| SCHEMBL2051244 | 0.80 | CA1 (0.42) | SIGMAR1POLBMEN1KMT2AMAPT | |
| SCHEMBL8740485 | 0.80 | SIGMAR1 (0.53) | SIGMAR1CASRPOLBMEN1KMT2A | |
| SCHEMBL13298759 | 0.80 | SIGMAR1 (0.53) | SIGMAR1CASRPOLBMEN1KMT2A | |
| Anisole SCHEMBL946396 | 0.79 | CASR (0.62) | SIGMAR1CASRKDM4ESMN1; SMN2L3MBTL1 |
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-2018026792-A1 | SPIRO-LACTAM AND BIS-SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF | APTINYX INC. (US) | 2018-02-08 | — | — | WO | disclosed |