Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.43 |
| ▸ | FYN | P06241 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | HTR1D | P28221 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL210080 | 0.98 | NUDT1 (0.49) | NUDT1SMN1; SMN2HTTCYP1A2CYP3A4 | |
| SCHEMBL18906038 | 0.95 | NUDT1 (0.56) | NUDT1SMN1; SMN2HTTCYP1A2CYP3A4 | |
| SCHEMBL30775333 | 0.95 | NUDT1 (0.56) | NUDT1SMN1; SMN2HTTCYP1A2CYP3A4 | |
| SCHEMBL32678784 | 0.87 | SMN1; SMN2 (0.50) | NUDT1SMN1; SMN2HTTCYP1A2CYP3A4 | |
| SCHEMBL22110996 | 0.87 | SMN1; SMN2 (0.50) | NUDT1SMN1; SMN2HTTCYP1A2CYP3A4 | |
| SCHEMBL32678778 | 0.87 | SMN1; SMN2 (0.50) | NUDT1SMN1; SMN2HTTCYP1A2CYP3A4 | |
| SCHEMBL32678782 | 0.87 | SMN1; SMN2 (0.50) | NUDT1SMN1; SMN2HTTCYP1A2CYP3A4 | |
| SCHEMBL3662937 | 0.82 | DNM2 (0.50) | SMN1; SMN2HTTCYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL8521658 | 0.81 | SMN1; SMN2 (0.52) | SMN1; SMN2HTTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2638413 | 0.80 | TLR8 (0.56) | SMN1; SMN2HTTCYP1A2CYP3A4CYP2D6 |
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-2400961-A1 | DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS | Boehringer Ingelheim International GmbH (DE) | 2012-01-04 | — | — | EP | disclosed |