Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MLYCD | O95822 | 2/20 | 0.36 |
| ▸ | CTSK | P43235 | 3/20 | 0.35 |
| ▸ | PNLIP | P16233 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 4/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.34 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.34 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.34 |
| ▸ | CTSG | P08311 | 1/20 | 0.33 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.33 |
| ▸ | CMA1 | P23946 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 2/20 | 0.33 |
| ▸ | CES2 | O00748 | 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 | |
|---|---|---|---|---|
| SCHEMBL9056515 | 0.90 | ALDH1A1 (0.40) | ALDH1A1MLYCDCTSKPNLIPTSHR | |
| SCHEMBL9058971 | 0.90 | ALDH1A1 (0.40) | ALDH1A1MLYCDCTSKPNLIPTSHR | |
| SCHEMBL9126844 | 0.82 | NPC1 (0.43) | ALDH1A1PNLIPTSHRNPC1MAPT | |
| SCHEMBL9407615 | 0.80 | ALDH1A1 (0.58) | ALDH1A1PNLIPTSHRFAAHNPC1 | |
| SCHEMBL8605437 | 0.80 | ALDH1A1 (0.58) | ALDH1A1PNLIPTSHRFAAHNPC1 | |
| SCHEMBL17845803 | 0.80 | ALDH1A1 (0.58) | ALDH1A1PNLIPTSHRFAAHNPC1 | |
| SCHEMBL9056406 | 0.77 | NPC1 (0.53) | ALDH1A1TSHRNPC1MAPTPRSS1 | |
| SCHEMBL6002317 | 0.75 | PNLIP (0.49) | ALDH1A1MLYCDPNLIPTSHRNPC1 | |
| SCHEMBL9222370 | 0.75 | TP53 (0.48) | ALDH1A1TSHRMAPT | |
| SCHEMBL7529388 | 0.75 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0327349-B1 | Liquid crystal compounds | SHOWA SHELL SEKIYU (JP) | 1996-04-10 | — | — | EP | claimed |
| EP-0327349-B1 | Liquid crystal compounds | SHOWA SHELL SEKIYU (JP) | 1996-04-10 | — | — | EP | disclosed |