Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIM1 | P11309 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | SNCA | P37840 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13623615 | 0.85 | HDAC1 (0.58) | ALDH1A1TDP1MAPK1CES2CES1 | |
| SCHEMBL1483722 | 0.82 | SMN1; SMN2 (0.52) | ALDH1A1TDP1MAPK1CES2CES1 | |
| SCHEMBL8780278 | 0.82 | CES2 (0.61) | ALDH1A1TDP1MAPK1CES2CES1 | |
| Water SCHEMBL3522042 | 0.80 | CES2 (0.59) | ALDH1A1TDP1MAPK1CES2CES1 | |
| SCHEMBL4355959 | 0.79 | SMN1; SMN2 (0.53) | PIM1ALDH1A1TDP1CES2CES1 | |
| SCHEMBL19650956 | 0.78 | DPP4 (0.47) | ALDH1A1TDP1MAPK1KMT2ASMN1; SMN2 | |
| SCHEMBL385343 | 0.78 | LMNA (0.53) | PIM1ALDH1A1TDP1MAPK1CES2 | |
| SCHEMBL1924482 | 0.78 | PIM1 (0.47) | PIM1CES2CES1HDAC1HDAC6 | |
| SCHEMBL29602493 | 0.78 | PIM1 (0.47) | PIM1CES2CES1HDAC1HDAC6 | |
| SCHEMBL13596495 | 0.77 | NPC1 (0.44) | ALDH1A1TDP1MAPK1CES2CES1 |
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 |