Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 2/20 | 0.47 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.47 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | GPR3 | P46089 | 1/20 | 0.33 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | TACR1 | P25103 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8611477 | 0.89 | GRIN1 (0.40) | GRIN1GRIN2AGRIN2BSLC6A4SLC6A2 | |
| Hydrochloric Acid SCHEMBL8613933 | 0.88 | GRIN1 (0.39) | GRIN1GRIN2AGRIN2BSLC6A4SLC6A2 | |
| Hydrochloric Acid SCHEMBL8610065 | 0.85 | GRIN1 (0.39) | GRIN1GRIN2AGRIN2BSLC6A4SLC6A2 | |
| Hydrochloric Acid SCHEMBL8611332 | 0.85 | GRIN1 (0.37) | GRIN1GRIN2AGRIN2BNPSR1SLC6A4 | |
| Hydrochloric Acid SCHEMBL8614565 | 0.81 | S1PR1 (0.36) | GRIN1GRIN2AGRIN2BNPSR1KDM4E | |
| Hydrochloric Acid SCHEMBL8615867 | 0.78 | SLC6A4 (0.37) | SIGMAR1SLC6A4SLC6A2ALDH1A1 | |
| SCHEMBL7718906 | 0.75 | DRD2 (0.35) | GRIN1GRIN2AGRIN2BNPSR1KDM4E | |
| SCHEMBL8706170 | 0.70 | DRD2 (0.34) | SLC6A2TACR1 | |
| Hydrochloric Acid SCHEMBL8706566 | 0.69 | DRD2 (0.33) | SLC6A2TACR1 | |
| SCHEMBL8705094 | 0.69 | TACR1 (0.35) | NPSR1CYP2C9ALDH1A1TACR1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-5773450-A | ANTIINFLAMMATORY AGENTS, CENTRAL NERVOUS SYSTEM DISORDERS | PFIZER INC. (US) | 1998-06-30 | — | — | US | disclosed |
| US-5744480-A | ANTIINFLAMMATORY AGENTS, NERVOUS SYSTEM DISORDERS | PFIZER INC. (US) | 1998-04-28 | — | — | US | disclosed |