Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | KCNA5 | P22460 | 7/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KCNE1 | P15382 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL24920225 | 0.83 | SLC6A2 (0.47) | CYP1A2CYP3A4SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL24925875 | 0.83 | CYP1A2 (0.47) | CYP1A2CYP3A4SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL5227874 | 0.80 | KDM4E (0.50) | CYP1A2CYP3A4SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL29337158 | 0.80 | CYP1A2 (0.45) | CYP1A2CYP3A4SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL4969094 | 0.80 | KDM4E (0.50) | CYP1A2CYP3A4SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL20278778 | 0.79 | TSHR (0.43) | CYP1A2CYP3A4SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL9963352 | 0.79 | SLC6A2 (0.50) | CYP1A2CYP3A4SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL9847037 | 0.79 | — | — | |
| SCHEMBL1193974 | 0.79 | — | — | |
| SCHEMBL751028 | 0.79 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1546121-A4 | SUBSTITUTED TRIAZINE KINASE INHIBITORS | JANSSEN PHARMACEUTICA NV (BE) | 2007-08-15 | — | — | EP | disclosed |
| EP-1546121-A1 | SUBSTITUTED TRIAZINE KINASE INHIBITORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-06-29 | — | — | EP | disclosed |
| WO-2004009562-A1 | SUBSTITUTED TRIAZINE KINASE INHIBITORS | JANSSEN PHARMACEUTICA, NV (BE) | 2004-01-29 | — | — | WO | disclosed |