Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DDB1 | Q16531 | 2/20 | 0.43 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 7/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 7/20 | 0.41 |
| ▸ | TACR1 | P25103 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | PDE9A | O76083 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19853703 | 0.80 | DDB1 (0.49) | DDB1CRBNOPRM1GRIN2BALDH1A1 | |
| SCHEMBL19853699 | 0.80 | GRIN2B (0.54) | OPRM1OPRL1GRIN2BRAB9AMEN1 | |
| SCHEMBL19853701 | 0.75 | GRIN2B (0.50) | DDB1CRBNGRIN2BRAB9AALDH1A1 | |
| SCHEMBL19853708 | 0.74 | RORC (0.39) | DDB1CRBNOPRM1OPRL1NPC1 | |
| SCHEMBL24178875 | 0.72 | SIGMAR1 (0.46) | — | |
| SCHEMBL19853709 | 0.69 | RORC (0.38) | CRBNOPRM1OPRL1ALDH1A1TSHR | |
| SCHEMBL19839390 | 0.69 | OPRM1 (0.52) | DDB1CRBNOPRM1OPRL1GRIN2B | |
| SCHEMBL24178962 | 0.69 | BCHE (0.46) | — | |
| SCHEMBL19853761 | 0.67 | — | — | |
| SCHEMBL19853732 | 0.67 | SMYD3 (0.33) | — |
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 |