Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MLYCD | O95822 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 2/20 | 0.36 |
| ▸ | PNLIP | P16233 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 5/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.36 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.36 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.36 |
| ▸ | CTSG | P08311 | 1/20 | 0.34 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.34 |
| ▸ | CMA1 | P23946 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 3/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9058971 | 1.00 | ALDH1A1 (0.40) | ALDH1A1MLYCDCTSKPNLIPTSHR | |
| SCHEMBL9126844 | 0.92 | NPC1 (0.43) | ALDH1A1PNLIPTSHRNPC1MAPT | |
| SCHEMBL9057419 | 0.90 | ALDH1A1 (0.39) | ALDH1A1MLYCDCTSKPNLIPTSHR | |
| SCHEMBL8536761 | 0.85 | TP53 (0.48) | ALDH1A1TSHRMAPTMEN1KMT2A | |
| SCHEMBL8603999 | 0.85 | PNLIP (0.49) | ALDH1A1MLYCDPNLIPTSHRNPC1 | |
| SCHEMBL9127457 | 0.85 | PNLIP (0.49) | ALDH1A1MLYCDPNLIPTSHRNPC1 | |
| SCHEMBL6002317 | 0.85 | PNLIP (0.49) | ALDH1A1MLYCDPNLIPTSHRNPC1 | |
| SCHEMBL7529388 | 0.85 | PNLIP (0.49) | ALDH1A1MLYCDPNLIPTSHRNPC1 | |
| SCHEMBL9222370 | 0.85 | TP53 (0.48) | ALDH1A1TSHRMAPTMEN1KMT2A | |
| SCHEMBL8605430 | 0.85 | PNLIP (0.49) | ALDH1A1MLYCDPNLIPTSHRNPC1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0332392-B1 | Dioxane liquid crystal compounds | SHOWA SHELL SEKIYU (JP) | 1994-12-07 | — | — | EP | claimed |
| EP-0350330-B1 | LIQUID CRYSTAL COMPOUNDS | Showa Shell Sekiyu Kabushiki Kaisha (JP) | 1992-11-11 | — | — | EP | claimed |
| JP-1316372-A | — | — | None | — | — | JP | disclosed |
| EP-0327349-B1 | Liquid crystal compounds | SHOWA SHELL SEKIYU (JP) | 1996-04-10 | — | — | EP | disclosed |
| US-5433887-A | Liquid crystal compounds | SHOWA SHELL SEKIYU KABUSHIKI KAISHA (JP) | 1995-07-18 | — | — | US | disclosed |
| US-5110496-A | LIQUID CRYSTAL COMPOUND | SHOWA SHELL SEKIYU KABUSHIKI KAISHA (JP) | 1992-05-05 | — | — | US | disclosed |
| EP-0445037-A2 | Liquid crystal compound | Showa Shell Sekiyu Kabushiki Kaisha (JP) | 1991-09-04 | — | — | EP | disclosed |
| JP-H01316372-A | DIOXANE-BASED LIQUID CRYSTAL SUBSTANCE | SHOWA SHELL SEKIYU KK | 1989-12-21 | — | — | JP | disclosed |