Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.34 |
| ▸ | MCHR2 | Q969V1 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | AXL | P30530 | 1/20 | 0.33 |
| ▸ | TYRO3 | Q06418 | 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 | |
|---|---|---|---|---|
| SCHEMBL8897229 | 1.00 | ESR1 (0.38) | ESR1ESR2TRPV1MEN1KMT2A | |
| SCHEMBL8567198 | 0.73 | ESR1 (0.43) | ESR1ESR2MEN1KMT2AALDH1A1 | |
| SCHEMBL8567193 | 0.73 | ESR1 (0.43) | ESR1ESR2MEN1KMT2AALDH1A1 | |
| SCHEMBL8912006 | 0.72 | CA12 (0.43) | MEN1KMT2AMAPTLMNAKDM4E | |
| SCHEMBL8912007 | 0.72 | CA12 (0.43) | MEN1KMT2AMAPTLMNAKDM4E | |
| SCHEMBL8565613 | 0.70 | DCUN1D1 (0.39) | ESR1ESR2MEN1KMT2ALMNA | |
| SCHEMBL8565611 | 0.70 | DCUN1D1 (0.39) | ESR1ESR2MEN1KMT2ALMNA | |
| SCHEMBL719483 | 0.69 | ESR1 (0.52) | ESR1ESR2TRPV1HDAC6 | |
| SCHEMBL8896160 | 0.68 | MCHR1 (0.41) | MCHR1 | |
| SCHEMBL8896148 | 0.68 | MCHR1 (0.41) | MCHR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5612335-A | ANTICOAGULANTS; COMBATING/PREVENTING DISEASES WHERE CELL AGGREGATES OCCUR OR CELL-MATRIX INTERACTIONS PLAY A PART | KARL THOMAE GMBH (DE) | 1997-03-18 | — | — | US | disclosed |
| US-5519036-A | IMIDAZOLIDINONES, ANTICOAGULANTS, CELL AGGREGATION PREVENTION | KARL THOMAE GMBH (DE) | 1996-05-21 | — | — | US | disclosed |