Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | STAT3 | P40763 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | PPOX | P50336 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6983688 | 0.82 | TSHR (0.46) | TSHRSLC6A3LMNAMAPTKDM4E | |
| SCHEMBL6985171 | 0.79 | TSHR (0.46) | TSHRLMNAMAPTKDM4EHTT | |
| SCHEMBL6984545 | 0.78 | MEN1 (0.50) | TSHRMAPTKDM4EHTTALDH1A1 | |
| SCHEMBL8140543 | 0.76 | KDM4E (0.43) | TSHRSLC6A3LMNAMAPTKDM4E | |
| SCHEMBL1565129 | 0.70 | SLC6A3 (0.60) | SLC6A3HPGDSLC6A2SLC6A4SMN1; SMN2 | |
| SCHEMBL3843668 | 0.67 | HTT (0.40) | TSHRSLC6A3LMNAMAPTKDM4E | |
| SCHEMBL8143426 | 0.67 | HTT (0.40) | TSHRSLC6A3LMNAMAPTKDM4E | |
| SCHEMBL13184310 | 0.66 | ALDH1A1 (0.44) | MAPTKDM4EHTTALDH1A1HPGD | |
| SCHEMBL23214904 | 0.66 | QDPR (0.47) | TP53KMT2AMEN1ACHE | |
| SCHEMBL29745531 | 0.66 | QDPR (0.47) | TP53KMT2AMEN1ACHE |
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-2114408-A1 | SUBSTITUTED AMINOPYRIMIDINES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS | Merck & Co., Inc. (US) | 2009-11-11 | — | — | EP | disclosed |
| WO-2008091631-A1 | SUBSTITUTED AMINOPYRIMIDINES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS | MERCK & CO., INC. (US) | 2008-07-31 | — | — | WO | disclosed |