Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 6/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | THPO | P40225 | 1/20 | 0.54 |
| ▸ | BLM | P54132 | 1/20 | 0.54 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL9476450 | 1.00 | RARB (0.63) | RARBALDH1A1MAPTNFKB1MEN1 | |
| SCHEMBL9476466 | 1.00 | RARB (0.63) | RARBALDH1A1MAPTNFKB1MEN1 | |
| SCHEMBL10335865 | 0.98 | RARB (0.60) | RARBALDH1A1MAPTNFKB1MEN1 | |
| SCHEMBL9233439 | 0.93 | ALDH1A1 (0.62) | RARBALDH1A1MAPTNFKB1MEN1 | |
| SCHEMBL9478086 | 0.85 | SMN1; SMN2 (0.50) | RARBALDH1A1MAPTNFKB1MEN1 | |
| SCHEMBL14028771 | 0.84 | RARB (0.54) | RARBALDH1A1MAPTNFKB1MEN1 | |
| SCHEMBL9453893 | 0.84 | RARB (0.54) | RARBALDH1A1MAPTNFKB1MEN1 | |
| SCHEMBL10986992 | 0.78 | ALDH1A1 (0.88) | RARBALDH1A1MAPTNFKB1MEN1 | |
| SCHEMBL10662786 | 0.78 | ALDH1A1 (0.88) | RARBALDH1A1MAPTNFKB1MEN1 | |
| SCHEMBL10359434 | 0.78 | RARB (0.55) | RARBALDH1A1MAPTNFKB1MEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9714240-B2 | Vinyl autotaxin inhibitor compounds | PHARMAKEA, INC. (US) | 2017-07-25 | — | — | US | disclosed |
| US-5182047-A | FLUORINATED BIPHENYLDIOLE DERIVATIVES | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1993-01-26 | — | — | US | disclosed |
| EP-0368975-A1 | FLUORINATED BIPHENYLDIOLE DERIVATIVES. | MERCK PATENT GMBH (DE) | 1990-05-23 | — | — | EP | disclosed |
| WO-1989012039-A1 | FLUORINATED BIPHENYLDIOLE DERIVATIVES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-12-14 | — | — | WO | disclosed |