Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | VKORC1 | Q9BQB6 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8143426 | 1.00 | HTT (0.40) | HTTVKORC1NPC1RAB9AALDH1A1 | |
| SCHEMBL3843016 | 0.99 | HTT (0.39) | HTTVKORC1NPC1RAB9AALDH1A1 | |
| SCHEMBL6983688 | 0.86 | TSHR (0.46) | HTTVKORC1ALDH1A1MEN1KMT2A | |
| SCHEMBL8140543 | 0.83 | KDM4E (0.43) | HTTVKORC1ALDH1A1MEN1KMT2A | |
| SCHEMBL6980776 | 0.81 | HTT (0.40) | HTTNPC1RAB9AALDH1A1MEN1 | |
| SCHEMBL7682179 | 0.81 | HTT (0.40) | HTTNPC1RAB9AALDH1A1MEN1 | |
| SCHEMBL8124540 | 0.80 | TSHR (0.43) | HTTVKORC1ALDH1A1MEN1KMT2A | |
| SCHEMBL6985858 | 0.79 | HTT (0.38) | HTTNPC1RAB9AALDH1A1MEN1 | |
| SCHEMBL6981945 | 0.70 | HTT (0.40) | HTTALDH1A1MEN1KMT2AGAA | |
| SCHEMBL3849979 | 0.67 | TSHR (0.48) | HTTALDH1A1MEN1KMT2ASMN1; SMN2 |
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 4 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 |
| EP-1345897-A1 | CHEMICAL PROCESS AND NEW INTERMEDIATES | SANOFI-SYNTHELABO (FR) | 2003-09-24 | — | — | EP | disclosed |
| WO-2002044150-A1 | CHEMICAL PROCESS AND NEW INTERMEDIATES | SANOFI-SYNTHELABO (FR) | 2002-06-06 | — | — | WO | disclosed |