Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 17/20 | 1.00 |
| ▸ | GRIN2D | O15399 | 2/20 | 1.00 |
| ▸ | GRIN3B | O60391 | 2/20 | 1.00 |
| ▸ | GRIN1 | Q05586 | 2/20 | 1.00 |
| ▸ | GRIN2A | Q12879 | 2/20 | 1.00 |
| ▸ | GRIN2B | Q13224 | 2/20 | 1.00 |
| ▸ | GRIN2C | Q14957 | 2/20 | 1.00 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 1.00 |
| ▸ | TP53 | P04637 | 2/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.62 |
| ▸ | TSHR | P16473 | 2/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL678162 | 0.77 | SIGMAR1 (1.00) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| Bromide SCHEMBL467371 | 0.76 | SIGMAR1 (0.97) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL12648455 | 0.76 | SIGMAR1 (1.00) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| Hydrochloric Acid SCHEMBL9513204 | 0.75 | OPRM1 (0.69) | TP53CYP1A2CYP2D6TSHRCYP3A4 | |
| Hydrochloric Acid SCHEMBL9513210 | 0.75 | OPRM1 (0.69) | TP53CYP1A2CYP2D6TSHRCYP3A4 | |
| SCHEMBL467014 | 0.72 | SIGMAR1 (1.00) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL5804316 | 0.70 | SIGMAR1 (0.93) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL10262038 | 0.69 | SIGMAR1 (0.79) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL25271479 | 0.69 | OPRM1 (0.68) | TP53CYP1A2CYP2D6TSHRCYP3A4 | |
| SCHEMBL7643655 | 0.69 | OPRM1 (0.68) | TP53CYP1A2CYP2D6TSHRCYP3A4 |
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-1992022279-A2 | N-[ARYLETHYL]-N-ALKYL-2-(1-PYRROLIDINYL)ETHYLAMINE DERIVATIVES FOR CNS DISORDERS | G.D. SEARLE & CO. (US) | 1992-12-23 | — | — | WO | disclosed |
| EP-0518216-A2 | N-/Arylethyl/-N-alkyl-2-(1-pyrrolidinyl)ethylamine derivatives for CNS disorders | G.D. Searle & Co. (US) | 1992-12-16 | — | — | EP | disclosed |