Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | HTR1A | P08908 | 2/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 6/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7272654 | 0.97 | ABCB1 (0.42) | ABCB1HPGDABCG2FAAHLMNA | |
| SCHEMBL7281268 | 0.89 | ABCB1 (0.44) | ABCB1HPGDABCG2LMNAHTR1A | |
| SCHEMBL7274151 | 0.89 | ABCB1 (0.44) | ABCB1HPGDABCG2LMNAHTR1A | |
| SCHEMBL7282551 | 0.89 | ABCB1 (0.44) | ABCB1HPGDABCG2LMNAHTR1A | |
| Hydrochloric Acid SCHEMBL7280291 | 0.88 | ITGB3 (0.40) | LMNAOPRM1MAPTALDH1A1MGLL | |
| SCHEMBL7274458 | 0.87 | ABCB1 (0.43) | ABCB1HPGDABCG2FAAHLMNA | |
| Hydrochloric Acid SCHEMBL7274645 | 0.84 | ITGB3 (0.41) | LMNAOPRM1MAPTALDH1A1OPRD1 | |
| SCHEMBL7273850 | 0.84 | ABCB1 (0.46) | ABCB1HPGDABCG2LMNAMAPT | |
| SCHEMBL7276469 | 0.84 | ABCB1 (0.45) | ABCB1HPGDABCG2FAAHLMNA | |
| SCHEMBL7275504 | 0.84 | ABCB1 (0.45) | ABCB1HPGDABCG2FAAHLMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |