Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | PTGES | O14684 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL644360 | 0.85 | ALDH1A1 (0.54) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL18703864 | 0.81 | ALDH1A1 (0.57) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL23457841 | 0.80 | TDP1 (0.67) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL3950165 | 0.79 | ALDH1A1 (0.54) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL31737536 | 0.79 | ALDH1A1 (0.54) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL31006678 | 0.79 | ALDH1A1 (0.54) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL19479103 | 0.79 | ALDH1A1 (0.54) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL7553264 | 0.78 | ALDH1A1 (0.50) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL25087359 | 0.78 | ALDH1A1 (0.53) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL30207843 | 0.78 | HTT (0.53) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 |
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-2023027948-A1 | JAK2 INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. (US) | 2023-03-02 | — | — | WO | disclosed |