Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MPI | P34949 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CCR1 | P32246 | 1/20 | 0.31 |
| ▸ | CCR5 | P51681 | 1/20 | 0.31 |
| ▸ | CCR8 | P51685 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8548155 | 0.82 | ALDH1A1 (0.33) | ERN1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL15434050 | 0.80 | CYP1A2 (0.38) | ERN1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL20571174 | 0.77 | CYP1A2 (0.33) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL25758165 | 0.76 | CA1 (0.37) | ERN1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL20752986 | 0.76 | — | — | |
| SCHEMBL8544979 | 0.76 | KMT2A (0.34) | CYP3A4TDP1ALDH1A1MEN1KMT2A | |
| SCHEMBL30498408 | 0.76 | CA1 (0.37) | ERN1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL31111404 | 0.76 | KMT2A (0.34) | CYP3A4TDP1ALDH1A1MEN1KMT2A | |
| SCHEMBL8547684 | 0.73 | PIK3CD (0.37) | TDP1ALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL30529332 | 0.71 | CCR1 (0.50) | ERN1CYP1A2CYP3A4CYP2D6CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2927214-B1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | KYOWA HAKKO KIRIN CO LTD (JP) | 2018-03-21 | — | — | EP | disclosed |