Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | ACACB | O00763 | 2/20 | 0.31 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.31 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.30 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9510192 | 0.97 | CYP2C9 (0.34) | CYP2C9ALDH1A1MAPTLMNAMEN1 | |
| SCHEMBL9509344 | 0.96 | SPHK1 (0.34) | CYP2C9ALDH1A1MAPTLMNAMEN1 | |
| SCHEMBL9511371 | 0.96 | SPHK1 (0.34) | CYP2C9ALDH1A1MAPTLMNAMEN1 | |
| SCHEMBL9509449 | 0.93 | CYP2C9 (0.41) | CYP2C9ALDH1A1MAPTLMNAMEN1 | |
| SCHEMBL9510166 | 0.91 | CYP2C9 (0.34) | CYP2C9ALDH1A1MAPTLMNAMEN1 | |
| SCHEMBL9512502 | 0.90 | RAB9A (0.35) | CYP2C9ALDH1A1MAPTLMNAMEN1 | |
| SCHEMBL9510141 | 0.89 | ACACB (0.33) | CYP2C9ALDH1A1MAPTLMNAMEN1 | |
| SCHEMBL9511457 | 0.89 | CYP2C9 (0.33) | CYP2C9ALDH1A1MAPTLMNAMEN1 | |
| SCHEMBL10513662 | 0.89 | CYP2C9 (0.32) | CYP2C9ALDH1A1MAPTLMNAMEN1 | |
| SCHEMBL23618045 | 0.89 | ACACB (0.33) | ARACACBPAX8DRD2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0308438-B1 | LIQUID CRYSTAL PHASE CONTAINING TOLANES | MERCK PATENT GmbH (DE) | 1993-09-29 | — | — | EP | disclosed |