Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | GRK2 | P25098 | 1/20 | 0.33 |
| ▸ | CDC7 | O00311 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | CTSA | P10619 | 1/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2756356 | 0.88 | ALDH1A1 (0.48) | ALDH1A1IDO1TDO2MAPK1HSD11B1 | |
| SCHEMBL931178 | 0.86 | IDO1 (0.47) | ALDH1A1KMT2AIDO1TDO2MAPT | |
| Bromide SCHEMBL11274115 | 0.83 | KCNA5 (0.41) | ALDH1A1SLC6A2SLC6A4SLC6A3KMT2A | |
| SCHEMBL8309987 | 0.80 | LMNA (0.42) | ALDH1A1SLC6A2SLC6A4SLC6A3KMT2A | |
| SCHEMBL3907301 | 0.80 | CYP19A1 (0.41) | SLC6A2SLC6A4SLC6A3KMT2AIDO1 | |
| SCHEMBL3403146 | 0.80 | CYP11B1 (0.41) | SLC6A2SLC6A4SLC6A3IDO1TDO2 | |
| SCHEMBL6510105 | 0.80 | MAPKAPK2 (0.44) | SLC6A2SLC6A4SLC6A3KMT2ANPC1 | |
| SCHEMBL1515763 | 0.80 | SLC6A3 (0.58) | ALDH1A1SLC6A2SLC6A4SLC6A3KMT2A | |
| SCHEMBL6501433 | 0.76 | SLC6A2 (0.40) | ALDH1A1SLC6A2SLC6A4SLC6A3MAPT | |
| SCHEMBL7555691 | 0.76 | CES2 (0.46) | IDO1TDO2NPC1RAB9AGRK2 |
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-2011085269-A1 | RAF KINASE INHIBITORS | SELEXAGEN THERAPEUTICS, INC. (US) | 2011-07-14 | — | — | WO | disclosed |