Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | HRAS | P01112 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 2/20 | 0.41 |
| ▸ | EGFR | P00533 | 2/20 | 0.41 |
| ▸ | LYPLA1 | O75608 | 1/20 | 0.40 |
| ▸ | LYPLA2 | O95372 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | DRD5 | P21918 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1240611 | 0.79 | HRAS (0.46) | TAAR1SIGMAR1HRASTSHRALDH1A1 | |
| SCHEMBL19853420 | 0.77 | ATM (0.52) | TAAR1SIGMAR1HRASTSHRLTA4H | |
| SCHEMBL437919 | 0.76 | MAOA (0.48) | SIGMAR1HRASTSHRNPC1RAB9A | |
| SCHEMBL1829762 | 0.76 | NPC1 (0.50) | TAAR1SIGMAR1HRASTSHRALDH1A1 | |
| SCHEMBL21362339 | 0.75 | FOLH1 (0.39) | HRASALDH1A1NPC1RAB9A | |
| SCHEMBL10948517 | 0.75 | NPC1 (0.47) | TAAR1HRASTSHRALDH1A1NPC1 | |
| SCHEMBL8150074 | 0.75 | HRAS (0.50) | HRASTSHRLTA4HNPC1RAB9A | |
| SCHEMBL17805686 | 0.75 | HRAS (0.46) | HRASTSHRALDH1A1NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL6436425 | 0.75 | GAA (0.50) | TAAR1SIGMAR1HRASTSHRALDH1A1 | |
| Hydrochloric Acid SCHEMBL7870266 | 0.74 | SIGMAR1 (0.44) | SIGMAR1HRASTSHRALDH1A1NPC1 |
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 |