Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.52 |
| ▸ | MAOB | P27338 | 2/20 | 0.52 |
| ▸ | CALML3 | P27482 | 6/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.43 |
| ▸ | GRM2 | Q14416 | 3/20 | 0.43 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.43 |
| ▸ | PLK1 | P53350 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7385835 | 0.88 | F10 (0.50) | THRBDGAT1GRM2P2RX3 | |
| SCHEMBL7068870 | 0.88 | THRB (0.47) | MAOAMAOBTHRBDGAT1GRM2 | |
| SCHEMBL7387512 | 0.86 | PLK1 (0.43) | MAOATHRBDGAT1GRM2P2RX3 | |
| SCHEMBL27442648 | 0.84 | S1PR1 (0.49) | MAOAMAOBCALML3DGAT1GRM2 | |
| SCHEMBL7388767 | 0.84 | SIGMAR1 (0.45) | THRBDGAT1 | |
| SCHEMBL7309052 | 0.83 | THRB (0.43) | THRBGRM2P2RX3 | |
| SCHEMBL7387106 | 0.83 | CA12 (0.44) | THRBDGAT1GRM2P2RX3 | |
| SCHEMBL14183599 | 0.83 | CALML3 (0.64) | MAOAMAOBCALML3 | |
| SCHEMBL5530617 | 0.82 | SIGMAR1 (0.45) | THRBDGAT1 | |
| SCHEMBL7457616 | 0.81 | PLK1 (0.45) | THRBDGAT1P2RX3MAPK14PLK1 |
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-5627197-A | Adhesion receptor antagonists | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1997-05-06 | — | — | US | disclosed |
| EP-0727425-A1 | Adhesion receptor antagonists | MERCK PATENT GmbH (DE) | 1996-08-21 | — | — | EP | disclosed |