Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | PLK1 | P53350 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.38 |
| ▸ | PLAU | P00749 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | LPL | P06858 | 1/20 | 0.36 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20997687 | 0.85 | PLK1 (0.47) | PLK1ALDH1A1TDP1LPLLIPG | |
| SCHEMBL20997991 | 0.82 | PLK1 (0.50) | PLK1ALDH1A1CYP2C9HPGDKMT2A | |
| SCHEMBL20997871 | 0.78 | ALDH1A1 (0.40) | SMN1; SMN2ALDH1A1TDP1CYP2C9MAPT | |
| SCHEMBL20997681 | 0.75 | MASP2 (0.39) | SMN1; SMN2ALDH1A1TDP1CYP2C9PLAU | |
| SCHEMBL14852983 | 0.74 | SMN1; SMN2 (0.57) | SMN1; SMN2PLK1ALDH1A1TDP1CYP2C9 | |
| SCHEMBL1535943 | 0.74 | PLK1 (0.70) | SMN1; SMN2PLK1ALDH1A1TDP1TAS1R3 | |
| SCHEMBL20997690 | 0.74 | LMNA (0.52) | ALDH1A1TDP1MAOAMAPTKDM4E | |
| SCHEMBL20998018 | 0.74 | OGG1 (0.52) | SMN1; SMN2ALDH1A1MAPTIDO1KDM4E | |
| SCHEMBL20997849 | 0.74 | MAOA (0.42) | SMN1; SMN2MAOAIDO1KMT2ARAB9A | |
| SCHEMBL20997910 | 0.73 | CA1 (0.56) | SMN1; SMN2PLK1ALDH1A1MAPTKDM4E |
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-3483147-A1 | METALLOENZYME INHIBITOR COMPOUNDS | Innocrin Pharmaceuticals, Inc. (US) | 2019-05-15 | — | — | EP | disclosed |