Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.31 |
| ▸ | CA9 | Q16790 | 2/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.30 |
| ▸ | DAO | P14920 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | HBB | P68871 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30895284 | 0.69 | MAOA (0.50) | MAOAMAOBCA12CA9CA1 | |
| SCHEMBL503745 | 0.69 | MAOA (0.50) | MAOAMAOBCA12CA9CA1 | |
| Hydrochloric Acid SCHEMBL26614007 | 0.67 | MAOA (0.48) | MAOAMAOBCA12CA9CA1 | |
| Ethylene SCHEMBL28442445 | 0.66 | MAOA (0.47) | MAOAMAOBCA12CA9CA1 | |
| SCHEMBL7354968 | 0.64 | MAOA (0.50) | MAOAMAOBCA12CA9CA1 | |
| SCHEMBL8155087 | 0.64 | — | — | |
| Ethylene Glycol SCHEMBL8419054 | 0.63 | MAOA (0.49) | MAOAMAOBCA12CA9CA1 | |
| SCHEMBL28211937 | 0.63 | MAOA (0.49) | MAOAMAOBCA12CA9CA1 | |
| SCHEMBL30493712 | 0.61 | ABCG2 (0.38) | ABCG2 | |
| SCHEMBL1864060 | 0.61 | ABCG2 (0.38) | ABCG2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1998042709-A1 | ENDOTHELIN-RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 1998-10-01 | — | — | WO | disclosed |