Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ERN1 | O75460 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | NPY1R | P25929 | 1/20 | 0.43 |
| ▸ | NPY2R | P49146 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL15329886 | 0.89 | ALDH1A1 (0.48) | ALDH1A1RAB9ASMN1; SMN2KDM4EERN1 | |
| SCHEMBL2561197 | 0.88 | HPGD (0.55) | ALDH1A1RAB9ANPC1SMN1; SMN2KDM4E | |
| SCHEMBL29957035 | 0.87 | ALDH1A1 (0.60) | ALDH1A1RAB9ANPC1SMN1; SMN2KDM4E | |
| SCHEMBL2558336 | 0.84 | PTGDR2 (0.54) | ALDH1A1RAB9AKDM4ETSHRERN1 | |
| SCHEMBL29956690 | 0.83 | HPGD (0.50) | RAB9ANPC1KDM4ETSHRMEN1 | |
| SCHEMBL15330336 | 0.83 | ALDH1A1 (0.48) | ALDH1A1RAB9AKDM4EERN1NPSR1 | |
| SCHEMBL5449064 | 0.82 | MDM2 (0.52) | ALDH1A1RAB9ASMN1; SMN2KDM4EERN1 | |
| SCHEMBL2560452 | 0.80 | MEN1 (0.46) | ALDH1A1RAB9AKDM4EERN1NPSR1 | |
| SCHEMBL15332397 | 0.80 | KDM4E (0.56) | ALDH1A1RAB9AKDM4EMAPTCYP1A2 | |
| SCHEMBL4070948 | 0.80 | ERN1 (0.49) | ALDH1A1RAB9ASMN1; SMN2KDM4EERN1 |
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 |