Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK1 | Q13546 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 4/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19853733 | 0.83 | DPP4 (0.47) | RIPK1OPRM1OPRL1CYP2C19SMN1; SMN2 | |
| SCHEMBL19853697 | 0.77 | RIPK1 (0.37) | RIPK1ALDH1A1CYP2C19SMN1; SMN2KMT2A | |
| SCHEMBL19853782 | 0.76 | RIPK1 (0.51) | RIPK1OPRM1OPRL1KMT2ACHRM2 | |
| SCHEMBL19853771 | 0.76 | GRIN2B (0.41) | RIPK1ALDH1A1OPRM1CYP2C19SMN1; SMN2 | |
| SCHEMBL17359168 | 0.70 | CYP2C19 (0.42) | CYP2C19SMN1; SMN2KMT2A | |
| SCHEMBL9290068 | 0.70 | DHFR (0.43) | ALDH1A1OPRL1CYP2C19SMN1; SMN2NPC1 | |
| SCHEMBL19853789 | 0.70 | APEX1 (0.47) | RIPK1OPRM1OPRL1RAB9ATSHR | |
| SCHEMBL19853769 | 0.70 | TSHR (0.44) | RIPK1ALDH1A1OPRM1OPRL1KMT2A | |
| SCHEMBL19839384 | 0.69 | BLM (0.39) | RIPK1ALDH1A1OPRM1OPRL1SMN1; SMN2 | |
| SCHEMBL2380442 | 0.69 | SIGMAR1 (0.49) | RIPK1ALDH1A1OPRM1OPRL1CYP2C19 |
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-2018026763-A1 | SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF | APTINYX INC. (US) | 2018-02-08 | — | — | WO | disclosed |