Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | LOX | P28300 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TIPARP | Q7Z3E1 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 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 | |
|---|---|---|---|---|
| SCHEMBL17918919 | 0.79 | LTA4H (0.41) | ALDH1A1SMN1; SMN2KMT2AMAPTL3MBTL1 | |
| SCHEMBL31445086 | 0.77 | TAAR1 (0.46) | CYP3A4SMN1; SMN2 | |
| SCHEMBL16330599 | 0.77 | CYP2D6 (0.47) | CYP3A4SMN1; SMN2KMT2ACYP1A2CYP2D6 | |
| SCHEMBL34466788 | 0.77 | ALDH1A1 (0.46) | ALDH1A1RECQLNR1I2CYP3A4SMN1; SMN2 | |
| SCHEMBL17394990 | 0.77 | KMT2A (0.49) | ALDH1A1RECQLNR1I2CYP3A4SMN1; SMN2 | |
| SCHEMBL3297854 | 0.77 | KMT2A (0.50) | ALDH1A1RECQLNR1I2CYP3A4SMN1; SMN2 | |
| SCHEMBL4322475 | 0.74 | ALDH1A1 (0.48) | ALDH1A1RECQLNR1I2CYP3A4SMN1; SMN2 | |
| SCHEMBL16997128 | 0.74 | TDP1 (0.50) | SMN1; SMN2KMT2AGAATP53MAPT | |
| SCHEMBL14606255 | 0.74 | CHRNB2 (0.53) | MAPT | |
| SCHEMBL18937662 | 0.74 | NR5A1 (0.50) | ALDH1A1SMN1; SMN2GAATP53ALOX15 |
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-2017182418-A1 | CONJUGATES COMPRISING RIPK2 INHIBITORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2017-10-26 | — | — | WO | disclosed |