Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 19/20 | 0.59 |
| ▸ | CTSD | P07339 | 16/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3012802 | 0.99 | BACE1 (0.58) | BACE1CTSDCYP3A4 | |
| SCHEMBL18766951 | 0.95 | BACE1 (0.61) | BACE1CTSDCYP3A4 | |
| SCHEMBL1938793 | 0.89 | BACE1 (0.47) | BACE1CTSDCYP3A4 | |
| Hydrochloric Acid SCHEMBL3003691 | 0.88 | BACE1 (0.46) | BACE1CTSDCYP3A4 | |
| SCHEMBL4753060 | 0.88 | BACE1 (0.73) | BACE1CTSDCYP3A4 | |
| SCHEMBL8281586 | 0.86 | BACE1 (0.73) | BACE1CTSD | |
| SCHEMBL2877502 | 0.86 | BACE1 (0.73) | BACE1CTSD | |
| SCHEMBL4700512 | 0.86 | BACE1 (0.60) | BACE1CTSDCYP3A4 | |
| Hydrochloric Acid SCHEMBL2875561 | 0.85 | BACE1 (0.72) | BACE1CTSD | |
| Methylamine SCHEMBL5736229 | 0.85 | BACE1 (0.72) | BACE1CTSD |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2185561-B1 | 1,2,3,4-tetrahydropyrrolo(1,2-a)pyrazine-6-carboxamide and 2,3,4,5-tetrahydropyrrolo(1,2-a)-diazepine-7-carboxamide derivatives, preparation and therapeutic use thereof | SANOFI AVENTIS (FR) | 2011-06-15 | — | — | EP | disclosed |
| EP-2185511-A2 | 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF | Sanofi-Aventis (FR) | 2010-05-19 | — | — | EP | disclosed |
| EP-2185561-A2 | 1,2,3,4-TETRAHYDROPYRROLOÝ1,2-A¨PYRAZINE-6-CARBOXAMIDE AND 2,3,4,5-TETRAHYDROPYRROLOÝ1,2-A¨Ý1,4¨-DIAZÉPINE-7-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF | Sanofi-Aventis (FR) | 2010-05-19 | — | — | EP | disclosed |
| WO-2009044019-A2 | 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF | SANOFI-AVENTIS (FR) | 2009-04-09 | — | — | WO | disclosed |
| WO-2009044007-A2 | 1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZINE-6-CARBOXAMIDE AND 2,3,4,5-TETRAHYDROPYRROLO[1,2-A][1,4]-DIAZÉPINE-7-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF | SANOFI-AVENTIS (FR) | 2009-04-09 | — | — | WO | disclosed |