Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10793715 | 0.79 | PKM (0.38) | HSD17B10NPSR1MAOAMAOBSLC6A4 | |
| SCHEMBL9828092 | 0.77 | RBP1 (0.40) | HSD17B10ALDH1A1KDM4ETSHR | |
| SCHEMBL6817239 | 0.73 | ALDH1A1 (0.42) | HSD17B10KMT2AALDH1A1KDM4ETSHR | |
| SCHEMBL10794322 | 0.70 | SLC18A2 (0.41) | PKM | |
| SCHEMBL8669417 | 0.69 | DGAT1 (0.52) | KMT2AALDH1A1KDM4E | |
| SCHEMBL11561345 | 0.69 | CYP3A4 (0.46) | HSD17B10NPSR1PKMALDH1A1TSHR | |
| SCHEMBL28071031 | 0.68 | CYP3A4 (0.38) | HSD17B10KMT2AALDH1A1KDM4ETSHR | |
| SCHEMBL11674029 | 0.68 | HTT (0.42) | HSD17B10NPSR1KMT2AALDH1A1KDM4E | |
| SCHEMBL7828042 | 0.68 | KDM4E (0.41) | KMT2AMAOBALDH1A1KDM4ECYP3A4 | |
| SCHEMBL7289365 | 0.68 | L3MBTL4 (0.38) | KMT2AMAOAMAOBSLC6A4PKM |
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-0177960-B1 | DERIVATIVES OF TETRAHYDRONAPHTHALENE, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM | HOFFMANN LA ROCHE (CH) | 1991-03-20 | — | — | EP | disclosed |
| US-4680310-A | HYPOTENSIVE AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1987-07-14 | — | — | US | disclosed |
| EP-0177960-A2 | Derivatives of tetrahydronaphthalene, process and intermediates for their preparation and medicines containing them | F. HOFFMANN-LA ROCHE AG (CH) | 1986-04-16 | — | — | EP | disclosed |