Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 2/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.35 |
| ▸ | LTA4H | P09960 | 2/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.34 |
| ▸ | FSHR | P23945 | 1/20 | 0.34 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL7284122 | 0.94 | ALDH1A1 (0.36) | ALDH1A1LMNAMAPTPDE4APDE4B | |
| SCHEMBL7284281 | 0.86 | ITGB3 (0.41) | ALDH1A1LMNAMAPTADRA1DFFAR2 | |
| Hydrochloric Acid SCHEMBL7281006 | 0.84 | ITGB3 (0.44) | ALDH1A1LMNAMAPTPDE4APDE4B | |
| Hydrochloric Acid SCHEMBL7283412 | 0.84 | ITGB3 (0.44) | ALDH1A1LMNAMAPTPDE4APDE4B | |
| SCHEMBL7282551 | 0.84 | ABCB1 (0.44) | ALDH1A1LMNAMAPTLTA4HHRH3 | |
| SCHEMBL7281268 | 0.84 | ABCB1 (0.44) | ALDH1A1LMNAMAPTLTA4HHRH3 | |
| SCHEMBL7274151 | 0.84 | ABCB1 (0.44) | ALDH1A1LMNAMAPTLTA4HHRH3 | |
| SCHEMBL8943454 | 0.84 | ADRA1D (0.35) | ALDH1A1LMNAPDE4APDE4BPDE4C | |
| SCHEMBL7284041 | 0.84 | ALDH1A1 (0.42) | ALDH1A1LMNAMAPTLTA4HOPRM1 | |
| Hydrochloric Acid SCHEMBL7272807 | 0.82 | ITGB3 (0.43) | ALDH1A1LMNAMAPTPDE4APDE4B |
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-0483667-B1 | Cyclic imino derivatives, process for their preparation and drugs containing them | THOMAE GMBH DR K (DE) | 1998-02-04 | — | — | EP | disclosed |
| US-5591769-A | PYRROLIDINE DERIVATIVES; ANTICOAGULANTS | KARL THOMAE GMBH (DE) | 1997-01-07 | — | — | US | disclosed |
| US-5541343-A | ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS | KARL THOMAE GMBH (DE) | 1996-07-30 | — | — | US | disclosed |
| EP-0483667-A2 | Cyclic imino derivatives, process for their preparation and drugs containing them | Dr. Karl Thomae GmbH (DE) | 1992-05-06 | — | — | EP | disclosed |