Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | GPX4 | P36969 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6882011 | 0.95 | ALDH1A1 (0.44) | ALDH1A1NPC1TP53GPX4RAB9A | |
| SCHEMBL6875813 | 0.91 | NR1H2 (0.38) | ALDH1A1NPC1TP53RAB9APAX8 | |
| SCHEMBL6872336 | 0.86 | ALDH1A1 (0.40) | ALDH1A1NPC1TP53GPX4RAB9A | |
| SCHEMBL6883550 | 0.83 | ESR1 (0.43) | ALDH1A1NPC1TP53RAB9APAX8 | |
| SCHEMBL6882170 | 0.82 | KMT2A (0.40) | ALDH1A1CYP2C19HTR1AMAPTMEN1 | |
| SCHEMBL6882013 | 0.81 | ALDH1A1 (0.46) | ALDH1A1NPC1TP53GPX4RAB9A | |
| SCHEMBL6873390 | 0.81 | ALDH1A1 (0.42) | ALDH1A1NPC1TP53GPX4RAB9A | |
| SCHEMBL10824484 | 0.79 | NPC1 (0.44) | ALDH1A1NPC1TP53RAB9APAX8 | |
| SCHEMBL27489192 | 0.79 | DRD2 (0.36) | ALDH1A1LMNAOPRK1MAPTMEN1 | |
| SCHEMBL27502137 | 0.78 | DRD2 (0.39) | ALDH1A1LMNAOPRK1SIGMAR1MEN1 |
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-1107972-A1 | PREPARATION PROCESS FOR MANUFACTURE AND PURIFICATION OF MIXTURES OF FLUORAN COMPOUNDS AND RECORDING MATERIAL COMPRISING SAID MIXTURES OF FLUORAN | Ciba SC Holding AG (CH) | 2001-06-20 | — | — | EP | disclosed |
| WO-2000012513-A1 | NOVEL PREPARATION PROCESS FOR MANUFACTURE AND PURIFICATION OF MIXTURES OF FLUORAN COMPOUNDS AND RECORDING MATERIAL COMPRISING SAID MIXTURES OF FLUORAN COMPOUNDS | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2000-03-09 | — | — | WO | disclosed |