Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.42 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.37 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.37 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.37 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.37 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.37 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8740464 | 0.84 | AKR1C3 (0.40) | ALDH1A1LMNAHTTSMN1; SMN2SLC6A3 | |
| SCHEMBL9865412 | 0.82 | MDM2 (0.40) | LMNAHTTSMN1; SMN2SLC6A3SLC6A4 | |
| SCHEMBL3743873 | 0.79 | SLC6A3 (0.50) | ALDH1A1LMNAHTTSMN1; SMN2SLC6A3 | |
| SCHEMBL20459542 | 0.79 | SLC6A3 (0.42) | ALDH1A1LMNAHTTSMN1; SMN2SLC6A3 | |
| SCHEMBL10483062 | 0.79 | AHR (0.41) | ALDH1A1LMNAHTTSMN1; SMN2SLC6A3 | |
| SCHEMBL9420884 | 0.77 | CSNK2A1 (0.42) | LMNASMN1; SMN2PTGS1AKR1C3AKR1C2 | |
| SCHEMBL10585660 | 0.77 | TYR (0.35) | — | |
| SCHEMBL10797365 | 0.76 | PTGS1 (0.40) | ALDH1A1LMNAHTTPTGS1PSEN1 | |
| SCHEMBL10607615 | 0.76 | ALDH1A1 (0.49) | ALDH1A1LMNAHTTSMN1; SMN2SLC6A3 | |
| SCHEMBL96816 | 0.76 | ADRB2 (0.50) | LMNASMN1; SMN2SLC6A3SLC6A2MAPK1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5672582-A | ANTICOAGULANTS; 4-SUBSTITUTED CYCLOHEXYLAMINE DERIVATIVES | MERCK & CO., INC. (US) | 1997-09-30 | — | — | US | claimed |
| WO-1996011697-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1996-04-25 | — | — | WO | claimed |
| US-5672582-A | ANTICOAGULANTS; 4-SUBSTITUTED CYCLOHEXYLAMINE DERIVATIVES | MERCK & CO., INC. (US) | 1997-09-30 | — | — | US | disclosed |
| WO-1996011697-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1996-04-25 | — | — | WO | disclosed |
| US-4352928-A | ANTIINFLAMMATORY, HYPOGLYCEMIC, ANTICOAGULANT, ANOREXIGENIC, SEROTONIN EFFEC | MITSUBISHI YUKA PHARMACEUTICAL CO., LTD. (JP) | 1982-10-05 | — | — | US | disclosed |
| EP-0022481-A1 | 5,6-Alkylenepyrimidine derivatives, processes for preparing the same and pharmaceutical compositions | Mitsubishi Yuka Pharmaceutical Co., Ltd. (JP) | 1981-01-21 | — | — | EP | disclosed |