Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.40 |
| ▸ | RELA | Q04206 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | PARP15 | Q460N3 | 2/20 | 0.38 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.38 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8017239 | 1.00 | ALDH1A1 (0.41) | ALDH1A1HPGDNPC1LMNACYP1A2 | |
| SCHEMBL8013763 | 0.99 | ALDH1A1 (0.43) | ALDH1A1HPGDNPC1LMNACYP1A2 | |
| SCHEMBL8013760 | 0.99 | ALDH1A1 (0.43) | ALDH1A1HPGDNPC1LMNACYP1A2 | |
| SCHEMBL8014679 | 0.98 | TRPV4 (0.41) | ALDH1A1HPGDNPC1LMNACYP1A2 | |
| SCHEMBL8014677 | 0.98 | TRPV4 (0.41) | ALDH1A1HPGDNPC1LMNACYP1A2 | |
| SCHEMBL8005362 | 0.94 | TRPV4 (0.41) | ALDH1A1HPGDNPC1TRPV4MAPT | |
| SCHEMBL8005366 | 0.94 | TRPV4 (0.41) | ALDH1A1HPGDNPC1TRPV4MAPT | |
| SCHEMBL8017224 | 0.91 | PARP10 (0.44) | ALDH1A1HPGDTRPV4PARP15PARP10 | |
| SCHEMBL8005276 | 0.91 | TRPV4 (0.40) | ALDH1A1HPGDTRPV4PARP15PARP10 | |
| SCHEMBL8005274 | 0.91 | TRPV4 (0.40) | ALDH1A1HPGDTRPV4PARP15PARP10 |
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 |
|---|---|---|---|---|---|---|---|
| US-6149990-A | Carboxylate derivatives comprising an ether group and liquid crystal composition comprising the same | CHISSO CORPORATION (JP) | 2000-11-21 | — | — | US | disclosed |
| EP-0884302-A1 | CARBOXYLIC ESTER DERIVATIVES CONTAINING ETHER GROUP AND LIQUID-CRYSTAL COMPOSITION CONTAINING THE SAME | CHISSO CORPORATION (JP) | 1998-12-16 | — | — | EP | disclosed |