Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.46 |
| ▸ | KLK7 | P49862 | 1/20 | 0.46 |
| ▸ | RXRA | P19793 | 2/20 | 0.43 |
| ▸ | RXRB | P28702 | 2/20 | 0.43 |
| ▸ | RXRG | P48443 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.42 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.42 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.42 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.42 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL15447678 | 1.00 | CYP1A2 (0.50) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL19479573 | 0.87 | MAPT (0.52) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL15447704 | 0.87 | MAPT (0.52) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL18563474 | 0.86 | GAA (0.53) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL17299142 | 0.86 | CYP1A2 (0.69) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL15447676 | 0.86 | CYP1A2 (0.69) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL15447706 | 0.86 | CYP1A2 (0.69) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL7222060 | 0.86 | KMT2A (0.47) | MAPTKLK7MEN1KMT2AKDM4E | |
| SCHEMBL11123099 | 0.82 | CYP1A2 (0.72) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL9063033 | 0.82 | CYP1A2 (0.59) | CYP1A2GAACYP2C9PKMCYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2859009-B1 | MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES | GILEAD SCIENCES INC (US) | 2017-10-18 | — | — | EP | disclosed |
| EP-2861604-B1 | MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES | GILEAD SCIENCES INC (US) | 2017-03-01 | — | — | EP | disclosed |