Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.64 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.64 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | GUSB | P08236 | 1/20 | 0.47 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.46 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.46 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL18316533 | 0.85 | ALDH1A1 (0.62) | ALDH1A1MAPK1HIF1ACYP1A2CYP3A4 | |
| SCHEMBL9240432 | 0.83 | ALDH1A1 (0.64) | ALDH1A1MAPK1HIF1ACYP1A2CYP3A4 | |
| SCHEMBL7295543 | 0.83 | ALDH1A1 (0.59) | ALDH1A1MAPK1HIF1ACYP1A2CYP3A4 | |
| SCHEMBL755153 | 0.82 | TSHR (0.53) | ALDH1A1MAPK1HIF1ACYP1A2CYP3A4 | |
| SCHEMBL754883 | 0.82 | KIF18A (0.57) | ALDH1A1MAPK1HIF1ACYP1A2CYP3A4 | |
| SCHEMBL28568170 | 0.81 | ALDH1A1 (0.56) | ALDH1A1MAPK1HIF1ACYP1A2CYP3A4 | |
| SCHEMBL28592121 | 0.81 | ALDH1A1 (0.61) | ALDH1A1MAPK1HIF1ACYP1A2CYP3A4 | |
| SCHEMBL5713455 | 0.81 | ALDH1A1 (0.61) | ALDH1A1MAPK1HIF1ACYP1A2CYP3A4 | |
| SCHEMBL1970447 | 0.80 | KMT2A (0.67) | ALDH1A1MAPK1HIF1ACYP1A2CYP3A4 | |
| SCHEMBL3722506 | 0.79 | ALDH1A1 (0.58) | ALDH1A1MAPK1HIF1ACYP1A2CYP3A4 |
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-2007120574-A2 | DIARYL SUBSTITUTED ALKANES | MERCK & CO., INC. (US) | 2007-10-25 | — | — | WO | disclosed |