Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HAO1 | Q9UJM8 | 2/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | THPO | P40225 | 1/20 | 0.31 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.30 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1979835 | 0.83 | HTR2A (0.35) | HTR2ASIGMAR1 | |
| SCHEMBL482776 | 0.79 | NPSR1 (0.39) | HTR2AHAO1LMNACYP1A2CYP3A4 | |
| SCHEMBL2566639 | 0.77 | HTR2A (0.70) | HTR2AHAO1SIGMAR1LMNACYP1A2 | |
| SCHEMBL614112 | 0.76 | HRH3 (0.38) | HTR2AHAO1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL6293461 | 0.76 | CHRNB2 (0.50) | HTR2ASIGMAR1LMNACYP1A2CYP3A4 | |
| SCHEMBL1984212 | 0.76 | HAO1 (0.30) | HAO1 | |
| SCHEMBL6296436 | 0.76 | ALDH1A1 (0.38) | LMNACYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL15662541 | 0.75 | CYP2A6 (0.51) | HTR2ACYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL614587 | 0.74 | KCNH2 (0.39) | LMNACYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1978211 | 0.72 | — | — |
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-2011072064-A1 | S PIRO [CHROMAN - 4, 4 ' - IMIDAZOL] ONES AS BETA - SECRETASE INHIBITORS | ARRAY BIOPHARMA INC. (US) | 2011-06-16 | — | — | WO | claimed |
| WO-2011072064-A1 | S PIRO [CHROMAN - 4, 4 ' - IMIDAZOL] ONES AS BETA - SECRETASE INHIBITORS | ARRAY BIOPHARMA INC. (US) | 2011-06-16 | — | — | WO | disclosed |