Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | MME | P08473 | 2/20 | 0.38 |
| ▸ | ACE | P12821 | 2/20 | 0.38 |
| ▸ | CPA1 | P15085 | 1/20 | 0.38 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | PREP | P48147 | 1/20 | 0.37 |
| ▸ | FAP | Q12884 | 1/20 | 0.37 |
| ▸ | ECE1 | P42892 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.35 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.35 |
| ▸ | MDM4 | O15151 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25514706 | 0.87 | ALDH1A1 (0.44) | ALDH1A1MAPTLMNAPTGS2TDP1 | |
| SCHEMBL28497156 | 0.81 | ALDH1A1 (0.40) | ALDH1A1MAPTLMNAPTGS2TDP1 | |
| SCHEMBL20991917 | 0.81 | TDP1 (0.41) | ALDH1A1MAPTLMNAPTGS2TDP1 | |
| SCHEMBL606729 | 0.79 | — | — | |
| SCHEMBL14015909 | 0.79 | ALDH1A1 (0.39) | ALDH1A1MAPTLMNAPTGS2TDP1 | |
| SCHEMBL21423976 | 0.79 | ALDH1A1 (0.39) | ALDH1A1MAPTLMNAPTGS2TDP1 | |
| SCHEMBL18542874 | 0.76 | LMNA (0.45) | ALDH1A1MAPTLMNAPTGS2TDP1 | |
| SCHEMBL18896233 | 0.76 | FAAH (0.47) | ALDH1A1MAPTLMNATDP1KMT2A | |
| SCHEMBL21644459 | 0.75 | ALDH1A1 (0.43) | ALDH1A1MAPTLMNAPTGS2TDP1 | |
| (Isobutyrylamino)Acetic Acid SCHEMBL622544 | 0.75 | ALDH1A1 (0.67) | ALDH1A1MAPTLMNAPTGS2TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023148115-A1 | THERAGNOSTIC FOLATE CONJUGATES | MERCK PATENT GMBH (DE) | 2023-08-10 | — | — | WO | disclosed |