Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.54 |
| ▸ | SYK | P43405 | 1/20 | 0.52 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.46 |
| ▸ | CTSS | P25774 | 3/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | AKT1 | P31749 | 2/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.44 |
| ▸ | CTSB | P07858 | 1/20 | 0.44 |
| ▸ | CTSK | P43235 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8863692 | 0.91 | NPSR1 (0.54) | IDO1SYKCA12CA1SIGMAR1 | |
| SCHEMBL15202883 | 0.85 | SYK (0.64) | IDO1SYKMALT1MAPTLMNA | |
| SCHEMBL14037382 | 0.83 | IDO1 (0.61) | IDO1SYKMALT1CA12CA1 | |
| SCHEMBL12471856 | 0.82 | IDO1 (0.51) | IDO1SYKMALT1CA12CA1 | |
| SCHEMBL5738494 | 0.81 | IDO1 (0.53) | IDO1SYKMALT1CA12CA1 | |
| SCHEMBL506649 | 0.81 | IDO1 (0.62) | IDO1SYKMALT1CA12CA1 | |
| SCHEMBL14729256 | 0.81 | NPC1 (0.43) | IDO1SYKCA12CA1CA7 | |
| SCHEMBL716007 | 0.80 | NPC1 (0.56) | IDO1SYKCA12CA1CA7 | |
| SCHEMBL572740 | 0.80 | IDO1 (0.60) | IDO1CA12CA1CA7CA14 | |
| SCHEMBL12472347 | 0.80 | CA1 (0.54) | IDO1SYKCA1SIGMAR1MAPT |
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 2 patents. 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 |
| WO-2018026792-A1 | SPIRO-LACTAM AND BIS-SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF | APTINYX INC. (US) | 2018-02-08 | — | — | WO | disclosed |