Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | ALPL | P05186 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | GALR1 | P47211 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28422058 | 0.79 | CYP2A6 (0.40) | CYP2A6MAOAMAOBMAPTNPSR1 | |
| SCHEMBL28777035 | 0.75 | GRM2 (0.46) | PTPN1BRD4KDM4EGAAALPL | |
| SCHEMBL6823018 | 0.71 | PTPN1 (0.49) | PTPN1KDM4EGAAMAOBALDH1A1 | |
| SCHEMBL11502520 | 0.71 | MAPT (0.41) | CYP2A6MAOAMAOBALDH1A1MAPT | |
| SCHEMBL1943625 | 0.71 | BACE1 (0.39) | PTPN1BRD4KDM4ECYP2A6MAOA | |
| SCHEMBL3160653 | 0.70 | TDP1 (0.46) | BRD4KDM4EGALR1ALDH1A1HPGD | |
| SCHEMBL8027778 | 0.70 | GSTP1 (0.46) | MAOBNISCH | |
| SCHEMBL4276998 | 0.70 | PTPN1 (0.43) | PTPN1BRD4KDM4EGAAALPL | |
| SCHEMBL9620885 | 0.69 | ELANE (0.46) | KDM4EGALR1ALDH1A1HPGDMEN1 | |
| SCHEMBL30527944 | 0.69 | PTPN1 (0.49) | PTPN1KDM4EGAAALPLMAOA |
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-3746436-A1 | FUSED RING COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2020-12-09 | — | — | EP | disclosed |
| WO-2020035031-A1 | FUSED RING COMPOUNDS | GENENTECH, INC. (US) | 2020-02-20 | — | — | WO | disclosed |
| WO-2000064908-A1 | N-TRI OR DI-ALKYLSILYL( PERFLUOROAL KANESULPHONYL) IMIDE DERIVATIVES, PREPARATION AND USE | RHODIA CHIMIE (FR) | 2000-11-02 | — | — | WO | disclosed |