Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | NQO2 | P16083 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.34 |
| ▸ | BAD | Q92934 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL22920866 | 0.80 | ALDH1A1 (0.41) | SMN1; SMN2LMNACES2CES1NQO2 | |
| SCHEMBL19390269 | 0.78 | LMNA (0.45) | SMN1; SMN2LMNACES2CES1CA1 | |
| SCHEMBL21938896 | 0.78 | PLAU (0.48) | SMN1; SMN2LMNACYP1A2NOS3NOS1 | |
| SCHEMBL19390268 | 0.78 | CES2 (0.45) | CES2CES1NQO2MAOBMAPT | |
| SCHEMBL19390280 | 0.77 | F2 (0.42) | LMNACES2CES1MAPTMAPK1 | |
| SCHEMBL2222682 | 0.77 | RAB9A (0.44) | SMN1; SMN2LMNAPTBP1CES2CES1 | |
| Hydrochloric Acid SCHEMBL1823196 | 0.76 | RAB9A (0.43) | SMN1; SMN2LMNAPTBP1CES2CES1 | |
| SCHEMBL19390270 | 0.75 | TRPV1 (0.41) | MAPTNPC1RAB9A | |
| SCHEMBL13550601 | 0.74 | CES2 (0.48) | SMN1; SMN2LMNAPTBP1CES2CES1 | |
| SCHEMBL18871800 | 0.74 | ALDH1A1 (0.48) | KDM4E |
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-2978425-B1 | FACTOR XIA INHIBITORS | MERCK SHARP & DOHME (US) | 2017-09-27 | — | — | EP | disclosed |
| EP-2380891-A1 | Substituted piperidino-dihydrothienopyrimidines | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-10-26 | — | — | EP | disclosed |