Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL14419716 | 0.87 | ALDH1A1 (0.35) | ALDH1A1MEN1KMT2AGAAHTT | |
| SCHEMBL1678138 | 0.85 | P2RX7 (0.40) | ALDH1A1MEN1KMT2AGAAHTT | |
| SCHEMBL14640138 | 0.84 | ALDH1A1 (0.33) | ALDH1A1MEN1KMT2AGAAHTT | |
| SCHEMBL14640151 | 0.84 | ALDH1A1 (0.33) | ALDH1A1MEN1KMT2AGAAHTT | |
| SCHEMBL14582631 | 0.83 | CNR2 (0.37) | ALDH1A1MEN1KMT2AGAAHTT | |
| SCHEMBL14582633 | 0.82 | ALDH1A1 (0.33) | ALDH1A1MEN1KMT2AGAAHTT | |
| SCHEMBL14640175 | 0.80 | CNR2 (0.31) | ALDH1A1MEN1KMT2AGAAHTT | |
| SCHEMBL14640243 | 0.79 | CNR2 (0.31) | ALDH1A1MEN1KMT2AGAAHTT | |
| SCHEMBL14582639 | 0.78 | CNR2 (0.32) | ALDH1A1MEN1KMT2AGAAHTT | |
| SCHEMBL1678000 | 0.76 | SMN1; SMN2 (0.41) | ALDH1A1MEN1KMT2AGAAHTT |
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-1743885-B1 | 1-[(adamantyl)alkyl]-3-[(pyridinyl)alkyl]urea compounds as TNF-.alpha inhibitors useful for autoimmune diseases | SANTEN PHARMACEUTICAL CO LTD (JP) | 2009-11-11 | — | — | EP | disclosed |