Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.53 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.39 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 8/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.38 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | TTR | P02766 | 1/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19733893 | 1.00 | ALDH1A1 (0.53) | ALDH1A1CYP2A6ALDH1A3ALDH3A1MAOB | |
| SCHEMBL21364216 | 0.89 | ALDH1A1 (0.41) | ALDH1A1CYP2A6MAOBMAOAL3MBTL1 | |
| SCHEMBL233470 | 0.88 | CA1 (0.39) | ALDH1A1MAOBMAOAPDE4DACHE | |
| SCHEMBL29349668 | 0.88 | CA1 (0.39) | ALDH1A1MAOBMAOAPDE4DACHE | |
| SCHEMBL29350801 | 0.88 | CA1 (0.39) | ALDH1A1MAOBMAOAPDE4DACHE | |
| SCHEMBL31165231 | 0.86 | MAOB (0.36) | ALDH1A1CYP2A6MAOBMAOAESR1 | |
| SCHEMBL7750911 | 0.83 | ALDH1A1 (0.76) | ALDH1A1CYP2A6ALDH1A3ALDH3A1MAOB | |
| SCHEMBL1128183 | 0.83 | ALDH1A1 (0.76) | ALDH1A1CYP2A6ALDH1A3ALDH3A1MAOB | |
| SCHEMBL24606931 | 0.82 | PDK2 (0.36) | ALDH1A1MAOBMAOAPDE4DNPC1 | |
| SCHEMBL19319144 | 0.82 | ACHE (0.47) | ALDH1A1PDE4DACHENPC1RAB9A |
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-4447643-A1 | IN-SITU CROSSLINKING OF 9,9`-SPIROBIFLUORENE-BASED COMPOUNDS FOR USE IN OPTOELECTRONIC AND/OR PHOTOELECTROCHEMICAL DEVICES AND MANUFACTURE THEREOF | Kaunas University of Technology (LT) | 2024-10-16 | — | — | EP | disclosed |