Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.70 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.70 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | PNMT | P11086 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | PLA2G2A | P14555 | 7/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.38 |
| ▸ | CCR2 | P41597 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | RGS12 | O14924 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL19064528 | 0.90 | CYP1A2 (0.71) | CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL19064530 | 0.86 | CYP1A2 (0.66) | CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL19064549 | 0.86 | CYP1A2 (0.76) | CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL19064543 | 0.86 | CYP1A2 (0.69) | CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL16027044 | 0.82 | CYP1A2 (1.00) | CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL19064533 | 0.81 | CYP1A2 (0.78) | CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1 | |
| Hydrochloric Acid SCHEMBL19064529 | 0.81 | CYP1A2 (0.98) | CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL19088169 | 0.77 | CYP1A2 (0.54) | CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL19064532 | 0.76 | CYP1A2 (0.78) | CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL9960009 | 0.76 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011060976-A1 | TRYPTAMINE-DERIVED COMPOUNDS AS ANTIBACTERIAL AGENTS | UNIVERSITE DE LIEGE (BE) | 2011-05-26 | — | — | WO | claimed |
| WO-2011060976-A1 | TRYPTAMINE-DERIVED COMPOUNDS AS ANTIBACTERIAL AGENTS | UNIVERSITE DE LIEGE (BE) | 2011-05-26 | — | — | WO | disclosed |