Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.38 |
| ▸ | CDK9 | P50750 | 1/20 | 0.38 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.38 |
| ▸ | MMP12 | P39900 | 1/20 | 0.38 |
| ▸ | ERN1 | O75460 | 2/20 | 0.36 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.36 |
| ▸ | TYR | P14679 | 1/20 | 0.36 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.34 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29955938 | 1.00 | ALDH1A1 (0.55) | ALDH1A1KDM4EMAPTCYP1A2CYP2C19 | |
| SCHEMBL29954886 | 0.77 | CCNT1 (0.39) | ALDH1A1KDM4EMAPTCYP1A2CYP2C19 | |
| SCHEMBL2549215 | 0.77 | CCNT1 (0.39) | ALDH1A1KDM4EMAPTCYP1A2CYP2C19 | |
| SCHEMBL29952388 | 0.77 | PSMD14 (0.42) | ALDH1A1KDM4EMAPTCYP1A2CYP2C19 | |
| SCHEMBL16044258 | 0.76 | CYP2A6 (0.51) | ALDH1A1KDM4EMAPTCYP1A2CYP2C19 | |
| SCHEMBL29953488 | 0.76 | CCNT1 (0.38) | ALDH1A1KDM4EMAPTCYP1A2CYP2C19 | |
| SCHEMBL29957318 | 0.76 | PARP1 (0.40) | ALDH1A1KDM4EMAPTCYP1A2CYP2C19 | |
| SCHEMBL29956035 | 0.76 | CCNT1 (0.38) | ALDH1A1KDM4EMAPTCYP1A2CYP2C19 | |
| SCHEMBL1713918 | 0.75 | ALDH1A1 (0.55) | ALDH1A1KDM4EMAPTCYP1A2CYP2C19 | |
| SCHEMBL2211390 | 0.73 | MAPK1 (0.45) | ALDH1A1KDM4EMAPTMMP12IMPDH2 |
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 |