Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.39 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.39 |
| ▸ | TRPM8 | Q7Z2W7 | 5/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.34 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MITF | O75030 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.32 |
| ▸ | ABAT | P80404 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7371438 | 0.81 | MEN1 (0.51) | ALDH1A1TRPM8MAPK1RAB9AKDM4E | |
| SCHEMBL29952265 | 0.81 | ALDH1A1 (0.37) | ALDH1A1ALDH3A1ALDH1A3TRPM8HPGD | |
| SCHEMBL29955001 | 0.78 | S1PR1 (0.39) | ALDH1A1TRPM8HPGDMAPK1RAB9A | |
| SCHEMBL29952749 | 0.78 | ALDH1A1 (0.37) | ALDH1A1ALDH1A3TRPM8PARP10MAPK1 | |
| SCHEMBL2346348 | 0.76 | ALDH1A1 (0.47) | ALDH1A1HPGDRAB9AKDM4EMEN1 | |
| SCHEMBL29952397 | 0.75 | ALDH1A1 (0.57) | ALDH1A1ALDH3A1ALDH1A3CYP2A6CYP2A13 | |
| SCHEMBL29954068 | 0.74 | LMNA (0.38) | ALDH1A1TRPM8HPGDMAPK1RAB9A | |
| SCHEMBL29952511 | 0.74 | ALDH1A1 (0.43) | ALDH1A1MAPK1KDM4ESMN1; SMN2 | |
| SCHEMBL2557220 | 0.72 | CYP2A6 (0.52) | ALDH1A1ALDH3A1ALDH1A3CYP2A6CYP2A13 | |
| SCHEMBL8664761 | 0.71 | CYP2A6 (0.48) | ALDH1A1ALDH3A1ALDH1A3TRPM8CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |