Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CRHBP | P24387 | 3/20 | 0.67 |
| ▸ | CRHR2 | Q13324 | 3/20 | 0.67 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.67 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.64 |
| ▸ | GAA | P10253 | 4/20 | 0.60 |
| ▸ | MEN1 | O00255 | 4/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL14096604 | 0.83 | CRHBP (0.64) | CRHBPCRHR2NPBWR1MCHR1ALDH1A1 | |
| SCHEMBL14096649 | 0.80 | ALDH1A1 (0.68) | CRHBPCRHR2NPBWR1MCHR1ALDH1A1 | |
| SCHEMBL15145920 | 0.76 | GAA (0.71) | CRHBPCRHR2NPBWR1MCHR1ALDH1A1 | |
| SCHEMBL171909 | 0.76 | CRHBP (0.58) | CRHBPCRHR2NPBWR1MCHR1ALDH1A1 | |
| SCHEMBL4401153 | 0.75 | RAB9A (0.73) | CRHBPCRHR2NPBWR1MCHR1ALDH1A1 | |
| SCHEMBL1871517 | 0.75 | RAB9A (0.69) | CRHBPCRHR2NPBWR1MCHR1ALDH1A1 | |
| SCHEMBL14096629 | 0.75 | RAB9A (0.69) | ALDH1A1GAAMEN1KMT2ARAB9A | |
| SCHEMBL699925 | 0.74 | MEN1 (0.71) | ALDH1A1GAAMEN1KMT2ARAB9A | |
| SCHEMBL14096627 | 0.74 | ALDH1A1 (0.62) | CRHBPCRHR2ALDH1A1GAAMEN1 | |
| SCHEMBL16587378 | 0.73 | MEN1 (0.59) | CRHBPCRHR2NPBWR1MCHR1ALDH1A1 |
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-2049541-A2 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008016192-A2 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-02-07 | — | — | WO | disclosed |