Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MLYCD | O95822 | 9/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24444830 | 0.71 | UBE2T (0.40) | ALDH1A1KDM4EMAPTNPSR1POLB | |
| SCHEMBL2069380 | 0.69 | ALDH1A1 (0.38) | ALDH1A1MAPTPOLBSMN1; SMN2LMNA | |
| SCHEMBL2237177 | 0.68 | POLB (0.39) | ALDH1A1MEN1MAPTKMT2APOLB | |
| SCHEMBL587007 | 0.67 | SMN1; SMN2 (0.37) | ALDH1A1MEN1KMT2APOLBHPGD | |
| SCHEMBL13285467 | 0.66 | ALDH1A1 (0.55) | ALDH1A1MLYCDDPP4TDP1KDM4E | |
| SCHEMBL17483653 | 0.66 | ALDH1A1 (0.50) | ALDH1A1MLYCDTDP1KDM4EMEN1 | |
| SCHEMBL21217179 | 0.65 | — | — | |
| SCHEMBL2305512 | 0.65 | ALDH1A1 (0.58) | ALDH1A1DPP4TDP1KDM4EMEN1 | |
| SCHEMBL26365682 | 0.64 | ALDH1A1 (0.53) | ALDH1A1MLYCDTDP1KDM4EMEN1 | |
| SCHEMBL670907 | 0.63 | UBE2T (0.43) | ALDH1A1KDM4EMAPTNPSR1POLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-3313828-B1 | METALLO-BETA-LACTAMASE INHIBITORS | MERCK SHARP & DOHME LLC (US) | 2023-07-12 | — | — | EP | disclosed |