Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | TPMT | P51580 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | ACACB | O00763 | 1/20 | 0.35 |
| ▸ | MLYCD | O95822 | 1/20 | 0.34 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | FPR2 | P25090 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18735681 | 0.81 | MEN1 (0.41) | ALDH1A1LMNA | |
| SCHEMBL23718011 | 0.79 | ALDH1A1 (0.42) | CYP1A2CA1CA2MLYCDALDH1A1 | |
| SCHEMBL17469782 | 0.79 | PLAU (0.46) | CYP1A2CYP2D6APEX1MLYCDALDH1A1 | |
| SCHEMBL15614990 | 0.78 | PKM (0.41) | CYP1A2CYP2D6ALDH1A1LMNAALOX15 | |
| SCHEMBL15149732 | 0.76 | TPMT (0.41) | TPMTGSK3BCA1CA2 | |
| SCHEMBL19296965 | 0.75 | MLYCD (0.59) | CYP1A2TPMTGSK3BCA1CA2 | |
| SCHEMBL8861374 | 0.75 | MLYCD (0.31) | MLYCD | |
| SCHEMBL19218179 | 0.75 | MAOA (0.47) | CYP1A2CYP2D6ALDH1A1LMNACYP2C19 | |
| SCHEMBL19006328 | 0.75 | ALDH1A1 (0.41) | CYP1A2MLYCDFPR2ALDH1A1LMNA | |
| SCHEMBL549233 | 0.73 | NQO2 (0.52) | ALDH1A1 |
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-2806873-B1 | AMIDINE SUBSTITUTED BETA-LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS | AICURIS GMBH & CO KG (DE) | 2016-06-15 | — | — | EP | disclosed |