Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | DHODH | Q02127 | 6/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | LDHA | P00338 | 1/20 | 0.40 |
| ▸ | LDHB | P07195 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | P2RX3 | P56373 | 5/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4415830 | 0.86 | ALDH1A1 (0.44) | ALDH1A1MAPK1SMN1; SMN2DHODHCYP3A4 | |
| SCHEMBL31518421 | 0.83 | ALDH1A1 (0.53) | ALDH1A1MAPK1SMN1; SMN2DHODHCYP3A4 | |
| SCHEMBL17008019 | 0.83 | ALDH1A1 (0.53) | ALDH1A1MAPK1SMN1; SMN2DHODHCYP3A4 | |
| SCHEMBL2094993 | 0.78 | ALDH1A1 (0.48) | ALDH1A1MAPK1SMN1; SMN2DHODHCYP3A4 | |
| SCHEMBL30932668 | 0.78 | ALDH1A1 (0.48) | ALDH1A1MAPK1SMN1; SMN2DHODHCYP3A4 | |
| Hydrochloric Acid SCHEMBL9088762 | 0.76 | ALDH1A1 (0.47) | ALDH1A1MAPK1SMN1; SMN2DHODHCYP3A4 | |
| SCHEMBL31440847 | 0.75 | ALDH1A1 (0.53) | ALDH1A1MAPK1SMN1; SMN2DHODHCYP3A4 | |
| SCHEMBL9704498 | 0.75 | ALDH1A1 (0.53) | ALDH1A1MAPK1SMN1; SMN2DHODHCYP3A4 | |
| SCHEMBL38659069 | 0.73 | ALDH1A1 (0.48) | ALDH1A1MAPK1SMN1; SMN2DHODHCYP3A4 | |
| SCHEMBL17008104 | 0.73 | ALDH1A1 (0.48) | ALDH1A1MAPK1SMN1; SMN2DHODHCYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2088860-A1 | CHEMOKINE RECEPTOR BINDING COMPOUNDS | Genzyme Corporation (US) | 2009-08-19 | — | — | EP | disclosed |
| WO-2008070758-A1 | CHEMOKINE RECEPTOR BINDING COMPOUNDS | GENZYME CORPORATION (US) | 2008-06-12 | — | — | WO | disclosed |