Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 5/20 | 0.61 |
| ▸ | ESR1 | P03372 | 4/20 | 0.61 |
| ▸ | MAOA | P21397 | 3/20 | 0.61 |
| ▸ | MAOB | P27338 | 3/20 | 0.61 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.61 |
| ▸ | USP7 | Q93009 | 2/20 | 0.53 |
| ▸ | USP47 | Q96K76 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 3/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA3 | P07451 | 1/20 | 0.48 |
| ▸ | CA6 | P23280 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL11622088 | 0.88 | CASP3 (0.52) | ESR2ESR1MAOAMAOBUGT1A1 | |
| SCHEMBL28401108 | 0.84 | CASP3 (0.52) | ESR2ESR1MAOAMAOBUGT1A1 | |
| SCHEMBL11621386 | 0.84 | CASP3 (0.52) | ESR2ESR1MAOAMAOBUGT1A1 | |
| SCHEMBL29486239 | 0.82 | ESR2 (0.90) | ESR2ESR1MAOAMAOBUGT1A1 | |
| SCHEMBL539276 | 0.82 | ESR2 (0.90) | ESR2ESR1MAOAMAOBUGT1A1 | |
| SCHEMBL11624231 | 0.81 | S100A4 (0.61) | MAOAMAOBUSP7CA9CA2 | |
| SCHEMBL8987700 | 0.81 | USP8 (0.63) | MAOAMAOBUSP7CA2MEN1 | |
| SCHEMBL11136815 | 0.81 | APAF1 (0.46) | ESR2ESR1MAOAMAOBUGT1A1 | |
| SCHEMBL17781322 | 0.79 | CASP3 (0.45) | MAOBUSP7CA9CA2CA12 | |
| SCHEMBL27971807 | 0.79 | USP8 (0.60) | MAOBUSP7CA2MEN1NPC1 |
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 |