Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMO | Q99835 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
| ▸ | PDE2A | O00408 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | ALPI | P09923 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5228047 | 0.87 | HTR2C (0.37) | ALDH1A1KDM4EHTTHTR2CMCHR1 | |
| SCHEMBL5225875 | 0.85 | CYP2D6 (0.36) | ALDH1A1POLBSMOSMN1; SMN2PTGS1 | |
| SCHEMBL2003024 | 0.85 | HTR2C (0.37) | ALDH1A1HTR2CMCHR1CHEK1 | |
| SCHEMBL5228879 | 0.85 | KMT2A (0.47) | ALDH1A1POLBKDM4ENPC1KMT2A | |
| SCHEMBL2760900 | 0.84 | MCHR1 (0.39) | POLBHTR2CMCHR1 | |
| SCHEMBL2000116 | 0.84 | F10 (0.38) | HTR2CMCHR1 | |
| SCHEMBL2001019 | 0.84 | CXCR3 (0.36) | HTR2CMCHR1 | |
| SCHEMBL5223970 | 0.84 | ADORA2A (0.40) | ALDH1A1SMOMCHR1SMN1; SMN2PTGS1 | |
| SCHEMBL1998836 | 0.83 | HTR2C (0.39) | SMOHTR2CMCHR1 | |
| SCHEMBL5222786 | 0.83 | GRM2 (0.38) | KDM4ESMOMCHR1SMN1; SMN2PTGS1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1611122-B1 | SUBSTITUTED PYRAZOLE COMPOUNDS | MERCK PATENT GMBH (DE) | 2007-06-13 | — | — | EP | disclosed |