Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.64 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.58 |
| ▸ | APP | P05067 | 5/20 | 0.55 |
| ▸ | UBE2T | Q9NPD8 | 1/20 | 0.53 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 4/20 | 0.52 |
| ▸ | NPC1 | O15118 | 4/20 | 0.52 |
| ▸ | RAB9A | P51151 | 4/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.50 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.50 |
| ▸ | RELA | Q04206 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.50 |
| ▸ | GFER | P55789 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL3128164 | 0.87 | LOXL2 (0.59) | CYP1A2CYP3A4CYP2C19UBE2TASIC3 | |
| SCHEMBL11338493 | 0.87 | CYP1A2 (0.63) | CYP1A2CYP3A4CYP2C19PDK1APP | |
| Hydrochloric Acid SCHEMBL3242553 | 0.86 | LOXL2 (0.58) | CYP1A2CYP3A4CYP2C19UBE2TASIC3 | |
| SCHEMBL5351987 | 0.85 | CYP1A2 (0.61) | CYP1A2CYP3A4CYP2C19PDK1APP | |
| SCHEMBL7542512 | 0.84 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2C19PDK1APP | |
| SCHEMBL202215 | 0.84 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2C19PDK1APP | |
| SCHEMBL8357951 | 0.81 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2C19PDK1APP | |
| SCHEMBL27354686 | 0.81 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2C19PDK1APP | |
| SCHEMBL21814927 | 0.80 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2C19PDK1APP | |
| SCHEMBL687084 | 0.80 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2C19PDK1APP |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023102140-A1 | TMPRSS2 INHIBITORS AND METHODS OF USE | TOPSPIN THERAPEUTICS, INC. (US) | 2023-06-08 | — | — | WO | disclosed |
| WO-2010001220-A1 | NEW 1,2,4-TRIAZINE DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF | MUTABILIS SA (FR) | 2010-01-07 | — | — | WO | disclosed |
| EP-2141164-A1 | New 1,2,4-triazine derivatives and biological applications thereof | Mutabilis (FR) | 2010-01-06 | — | — | EP | disclosed |