Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 9/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8892980 | 0.82 | SIGMAR1 (0.49) | SLC6A3SLC6A4SLC6A2SIGMAR1MEN1 | |
| SCHEMBL8893913 | 0.69 | CYP19A1 (0.41) | SLC6A3SLC6A4SLC6A2SIGMAR1MEN1 | |
| SCHEMBL8892342 | 0.67 | CYP19A1 (0.68) | ALDH1A1LMNAMAPK1SMN1; SMN2CYP19A1 | |
| SCHEMBL3064631 | 0.61 | — | — | |
| SCHEMBL28253540 | 0.60 | — | — | |
| SCHEMBL28261507 | 0.60 | MAPK1 (0.33) | MEN1ALDH1A1LMNAMAPK1KMT2A | |
| SCHEMBL8892302 | 0.59 | SIGMAR1 (0.51) | SLC6A3SLC6A4SLC6A2SIGMAR1MEN1 | |
| SCHEMBL27614039 | 0.58 | — | — | |
| SCHEMBL8447326 | 0.57 | — | — | |
| SCHEMBL9596938 | 0.56 | — | — |
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-1997027175-A1 | SUBSTITUTED ETHYL α,α - DIARYLMETHYL ETHER DERIVATIVES | GUILFORD PHARMACEUTICALS INC. (US) | 1997-07-31 | — | — | WO | claimed |