Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | CASP3 | P42574 | 1/20 | 0.47 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | DRD4 | P21917 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | NSD2 | O96028 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7270318 | 0.91 | GAA (0.59) | ALDH1A1MAPTLMNARAB9ACASP3 | |
| SCHEMBL14072996 | 0.79 | TSHR (0.61) | ALDH1A1MAPTLMNARAB9APARP1 | |
| SCHEMBL4654946 | 0.78 | GAA (0.61) | ALDH1A1MAPTLMNANPC1RAB9A | |
| SCHEMBL303909 | 0.78 | ALDH1A1 (0.52) | ALDH1A1MAPTLMNAGAAPARP1 | |
| SCHEMBL6295489 | 0.78 | MAOB (0.62) | ALDH1A1NPC1RAB9ASMN1; SMN2DRD2 | |
| SCHEMBL14073002 | 0.77 | HPGD (0.62) | ALDH1A1MAPTLMNAKMT2ADRD2 | |
| SCHEMBL21323158 | 0.76 | TSHR (0.68) | ALDH1A1MAPTLMNANPC1RAB9A | |
| SCHEMBL7269722 | 0.75 | PARP1 (0.60) | ALDH1A1MAPTLMNADRD2DRD4 | |
| SCHEMBL21027974 | 0.74 | TDP1 (0.51) | ALDH1A1MAPTLMNANPC1RAB9A | |
| SCHEMBL19629975 | 0.74 | MAPT (0.49) | MAPTLMNASLC6A2SLC6A3KMT2A |
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-2018071283-A1 | KDM5 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2018-04-19 | — | — | WO | disclosed |