Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | F10 | P00742 | 2/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | PRKAB2 | O43741 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL29208031 | 0.95 | GSK3B (0.38) | MEN1KMT2AHTR4KDM1AHDAC6 | |
| SCHEMBL30842029 | 0.88 | HTR4 (0.39) | MEN1KMT2AHTR4ALDH1A1POLB | |
| SCHEMBL30832023 | 0.87 | MLLT1 (0.43) | ALDH1A1GRIN2BKDM4ETSHRHTT | |
| SCHEMBL30831994 | 0.85 | KMT2A (0.42) | MEN1KMT2AHTR4ALDH1A1POLB | |
| Trifluoroacetic Acid SCHEMBL29207962 | 0.84 | HTR2A (0.38) | MEN1KMT2AHTR4HTR2A | |
| Trifluoroacetic Acid SCHEMBL29207943 | 0.83 | MLLT1 (0.40) | GRIN2BHTR2APRKAB2PRKAG1PRKAA2 | |
| SCHEMBL30832017 | 0.81 | SMN1; SMN2 (0.42) | MEN1KMT2AALDH1A1KDM4ETSHR | |
| Trifluoroacetic Acid SCHEMBL29208017 | 0.81 | CHRM4 (0.40) | MEN1KMT2AHTR4HTR1AHTR2A | |
| SCHEMBL30832020 | 0.80 | ALDH1A1 (0.42) | MEN1KMT2AKDM1AHDAC6ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL29280867 | 0.79 | GABRA5 (0.48) | KDM1AHDAC6F10GSK3B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117964547-A | Urea compound and application thereof as Sigma2 and 5HT2A dual-target inhibitor | 瀚远医药有限公司 | 2024-05-03 | — | — | CN | disclosed |
| WO-2024067304-A1 | COMPOUND WITH INHIBITORY ACTIVITY AGAINST SIGMA2 AND 5HT2A AND USE | 瀚远医药有限公司 | 2024-04-04 | — | — | WO | disclosed |