Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | PLG | P00747 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 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 | |
|---|---|---|---|---|
| SCHEMBL14538523 | 0.94 | ALDH1A1 (0.40) | NQO2ALDH1A1HTTNPSR1LMNA | |
| SCHEMBL22926330 | 0.78 | ALDH1A1 (0.42) | ALDH1A1KIF11MMP2MMP9 | |
| SCHEMBL19849034 | 0.77 | ALDH1A1 (0.43) | ALDH1A1HTTNPSR1LMNAPKM | |
| SCHEMBL24213539 | 0.75 | PLAU (0.44) | ALDH1A1HTTLMNAPKMSMN1; SMN2 | |
| SCHEMBL20644765 | 0.74 | CES2 (0.39) | NQO2ALDH1A1LMNACES2CES1 | |
| SCHEMBL16923685 | 0.74 | TPMT (0.38) | SLC22A2SLC22A1SLC22A3 | |
| SCHEMBL24196737 | 0.74 | IRAK4 (0.30) | — | |
| SCHEMBL18962609 | 0.74 | LMNA (0.45) | ALDH1A1LMNAATMTDP1CES2 | |
| SCHEMBL24690353 | 0.73 | HTT (0.47) | ALDH1A1HTTLMNASMN1; SMN2MEN1 | |
| SCHEMBL22144573 | 0.73 | RXRA (0.33) | SMN1; SMN2HPGDMEN1KMT2APRSS1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010047260-A1 | PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING NITROGEN-CONTAINING HETEROCYCLIC RING, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT | チッソ株式会社 (JP) | 2010-04-29 | — | — | WO | disclosed |