Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | THRA | P10827 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | VCAM1 | P19320 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.38 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 6/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9349861 | 1.00 | ESR1 (0.40) | ESR1THRATHRBVCAM1KCNH2 | |
| SCHEMBL9349663 | 0.85 | MAPT (0.40) | ESR1THRATHRBKCNH2PLA2G2A | |
| SCHEMBL9349658 | 0.85 | MAPT (0.40) | ESR1THRATHRBKCNH2PLA2G2A | |
| SCHEMBL9350508 | 0.83 | ESR1 (0.40) | ESR1THRATHRBKCNH2PLA2G4B | |
| SCHEMBL9353373 | 0.83 | CYP19A1 (0.44) | ESR1THRATHRBPLA2G2AL3MBTL1 | |
| SCHEMBL9350506 | 0.83 | ESR1 (0.40) | ESR1THRATHRBKCNH2PLA2G4B | |
| SCHEMBL9353368 | 0.83 | CYP19A1 (0.44) | ESR1THRATHRBPLA2G2AL3MBTL1 | |
| SCHEMBL9349702 | 0.82 | MAPT (0.41) | ESR1THRATHRBVCAM1PLA2G4B | |
| SCHEMBL9349705 | 0.82 | MAPT (0.41) | ESR1THRATHRBVCAM1PLA2G4B | |
| SCHEMBL9349839 | 0.81 | MAPT (0.40) | KCNH2MAPTLMNANPSR1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0457184-B1 | Naphthol derivatives, method for their preparation and use therefor | BOEHRINGER MANNHEIM GMBH (DE) | 1994-08-17 | — | — | EP | disclosed |
| US-5194389-A | PH indicators | BOEHRINGER MANNHEIM GMBH (DE) | 1993-03-16 | — | — | US | disclosed |
| EP-0457184-A2 | Naphthol derivatives, method for their preparation and use therefor | Roche Diagnostics GmbH (DE) | 1991-11-21 | — | — | EP | disclosed |