Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8475456 | 0.88 | CYP1A2 (0.43) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8466050 | 0.80 | CYP1A2 (0.60) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9847098 | 0.80 | TLR8 (0.57) | CYP3A4MAPK1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL6126621 | 0.77 | TLR8 (0.60) | CYP3A4MAPK1SMN1; SMN2ALOX15MAPT | |
| Hydrochloric Acid SCHEMBL6117482 | 0.76 | TLR8 (0.58) | CYP3A4MAPK1SMN1; SMN2ALOX15MAPT | |
| SCHEMBL7568916 | 0.75 | CNR2 (0.46) | CYP3A4MAPK1CYP1A2CYP2C19SMN1; SMN2 | |
| SCHEMBL7485320 | 0.75 | NPSR1 (0.44) | MAPK1CYP1A2CYP2C19SMN1; SMN2MAPT | |
| SCHEMBL6118179 | 0.71 | DCTPP1 (0.61) | MAPTTDP1LMNAHTTALDH1A1 | |
| SCHEMBL8016313 | 0.71 | TLR8 (0.67) | SMN1; SMN2TSHRLMNAHTTKDM4E | |
| SCHEMBL229041 | 0.69 | POLB (0.67) | SMN1; SMN2ALOX15MAPTTDP1TSHR |
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-2012068211-A1 | TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION | JANSSEN PHARMACEUTICA NV (BE) | 2012-05-24 | — | — | WO | disclosed |