Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CRHBP | P24387 | 1/20 | 0.43 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NR3C1 | P04150 | 4/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CETP | P11597 | 1/20 | 0.36 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.35 |
| ▸ | SLC16A1 | P53985 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22658228 | 0.83 | CRHBP (0.55) | CRHBPCRHR2CYP2C19NR3C1PTPN1 | |
| SCHEMBL2881081 | 0.83 | CYP2C19 (0.52) | CRHBPCRHR2CYP2C19NR3C1PTPN1 | |
| SCHEMBL30910363 | 0.75 | CRHBP (0.43) | CRHBPCRHR2CYP2C19NR3C1PTPN1 | |
| SCHEMBL9809629 | 0.74 | CRHBP (0.56) | CRHBPCRHR2CYP2C19NR3C1PTPN1 | |
| SCHEMBL3629686 | 0.74 | NR3C1 (0.46) | CRHBPCRHR2CYP2C19NR3C1PTPN1 | |
| SCHEMBL8725184 | 0.73 | CRHBP (0.51) | CRHBPCRHR2CYP2C19NR3C1PTPN1 | |
| SCHEMBL16412580 | 0.73 | CRHBP (0.55) | CRHBPCRHR2CYP2C19NR3C1PTPN1 | |
| SCHEMBL16416561 | 0.73 | CRHBP (0.42) | CRHBPCRHR2CYP2C19NR3C1PTPN1 | |
| SCHEMBL2852852 | 0.73 | TRPM8 (0.45) | CRHBPCRHR2NR3C1PTPN1KMT2A | |
| SCHEMBL2852847 | 0.73 | TRPM8 (0.45) | CRHBPCRHR2NR3C1PTPN1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3024824-A1 | THERAPEUTICALLY ACTIVE COMPOUNDS AND USE THEREOF | Agios Pharmaceuticals, Inc. (US) | 2016-06-01 | — | — | EP | disclosed |
| WO-2015010297-A1 | THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE | AGIOS PHARMACEUTICALS, INC. (US) | 2015-01-29 | — | — | WO | disclosed |
| WO-2015010626-A1 | THERAPEUTICALLY ACTIVE COMPOUNDS AND USE THEREOF | AGIOS PHARMACEUTICALS, INC. (US) | 2015-01-29 | — | — | WO | disclosed |