Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PLK1 | P53350 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | SCD | O00767 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21563726 | 0.83 | PTPN1 (0.43) | ALDH1A1PTPN1HDAC1NPC1RAB9A | |
| SCHEMBL12571419 | 0.81 | ALDH1A1 (0.46) | ALDH1A1PTPN1HDAC1KDM4ENPC1 | |
| SCHEMBL5008045 | 0.80 | HCAR2 (0.52) | ALDH1A1PTPN1HDAC1KDM4ENPC1 | |
| SCHEMBL10955482 | 0.78 | CDC7 (0.61) | ALDH1A1PTPN1HDAC1KDM4EGAA | |
| SCHEMBL24176348 | 0.77 | ALDH1A1 (0.45) | ALDH1A1PTPN1HDAC1NPC1RAB9A | |
| SCHEMBL12725727 | 0.77 | CYP3A4 (0.61) | ALDH1A1PTPN1HDAC1NPC1RAB9A | |
| SCHEMBL11956367 | 0.73 | HCAR2 (0.62) | ALDH1A1KDM4ENPC1RAB9AMAPT | |
| SCHEMBL27342040 | 0.73 | OGA (0.39) | ALDH1A1PTPN1KDM4EGAASMN1; SMN2 | |
| SCHEMBL11650054 | 0.73 | USP2 (0.46) | ALDH1A1HDAC1KDM4ENPC1RAB9A | |
| SCHEMBL7264808 | 0.72 | POLB (0.44) | ALDH1A1HDAC1KDM4EGAANPC1 |
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-20210071247-A1 | MASSIVELY PARALLEL DISCOVERY METHODS FOR OLIGONUCLEOTIDE THERAPEUTICS | ROCHE INNOVATION CENTER COPENHAGEN A/S (DK) | 2021-03-11 | — | — | US | disclosed |