Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.37 |
| ▸ | MITF | O75030 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15520896 | 1.00 | CYP19A1 (0.41) | CYP19A1HTR1ASIGMAR1ACHECYP1A2 | |
| Pyruvate SCHEMBL7525474 | 0.74 | CYP19A1 (0.53) | CYP19A1HTR1ASIGMAR1ACHECYP1A2 | |
| SCHEMBL5608451 | 0.73 | CYP19A1 (0.59) | CYP19A1HTR1ASIGMAR1ACHECYP1A2 | |
| SCHEMBL11119074 | 0.68 | RAB9A (0.49) | HTR1ASIGMAR1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL8535642 | 0.67 | CYP19A1 (0.58) | CYP19A1HTR1ASIGMAR1ACHECYP1A2 | |
| SCHEMBL3697185 | 0.66 | MAOB (0.50) | CYP19A1MITFHSP90AA1RAB9AALDH1A1 | |
| SCHEMBL3697186 | 0.66 | MAOB (0.50) | CYP19A1MITFHSP90AA1RAB9AALDH1A1 | |
| SCHEMBL9179498 | 0.66 | MAOB (0.50) | CYP19A1MITFHSP90AA1RAB9AALDH1A1 | |
| SCHEMBL9115029 | 0.66 | HTR6 (0.54) | HTR1AACHEMTNR1AMTNR1B | |
| SCHEMBL15700140 | 0.65 | ACHE (0.56) | CYP19A1HTR1ASIGMAR1ACHE |
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 |
|---|---|---|---|---|---|---|---|
| EP-2398789-A1 | SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | Merck Sharp & Dohme Corp. (US) | 2011-12-28 | — | — | EP | disclosed |
| WO-2010094242-A1 | SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME CORP. (US) | 2010-08-26 | — | — | WO | disclosed |