Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | RARB | P10826 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | RARA | P10276 | 1/20 | 0.36 |
| ▸ | RARG | P13631 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | ACACB | O00763 | 3/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL8767540 | 0.92 | TSHR (0.43) | CYP17A1CYP11B1CYP11B2RARBHSD17B10 | |
| SCHEMBL8766681 | 0.91 | HSD17B10 (0.49) | RARBHSD17B10RARARARGTP53 | |
| SCHEMBL9512422 | 0.90 | HSD17B10 (0.41) | CYP17A1CYP11B1CYP11B2RARBHSD17B10 | |
| SCHEMBL8766844 | 0.90 | HSD17B10 (0.51) | RARBHSD17B10RAB9ARARARARG | |
| SCHEMBL8767207 | 0.90 | HSD17B10 (0.51) | RARBHSD17B10RAB9ARARARARG | |
| SCHEMBL8766246 | 0.89 | CYP17A1 (0.39) | CYP17A1CYP11B1CYP11B2RARBRARA | |
| SCHEMBL9434002 | 0.88 | RARB (0.34) | RARBHSD17B10NPC1RAB9ARARA | |
| SCHEMBL8755364 | 0.87 | CYP17A1 (0.38) | CYP17A1CYP11B1CYP11B2RARBHSD17B10 | |
| SCHEMBL25548582 | 0.86 | FFAR1 (0.42) | RARBHSD17B10NPC1RAB9ARARA | |
| SCHEMBL8767559 | 0.86 | TSHR (0.41) | CYP11B1CYP11B2HSD17B10TSHRMEN1 |
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-0543244-B1 | Fluoro substituted tolans and liquid crystal mixtures containing them | MERCK PATENT GMBH (DE) | 1997-08-20 | — | — | EP | disclosed |
| US-5372746-A | Fluoro-substituted tolane compounds and liquid crystalline mixtures containing same | HOFFMANN-LA ROCHE INC. (US) | 1994-12-13 | — | — | US | disclosed |
| EP-0543244-A1 | Fluoro substituted tolans and liquid crystal mixtures containing them | F. HOFFMANN-LA ROCHE AG (CH) | 1993-05-26 | — | — | EP | disclosed |