Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 3/20 | 0.45 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | GLA | P06280 | 2/20 | 0.38 |
| ▸ | CASP1 | P29466 | 2/20 | 0.38 |
| ▸ | CASP7 | P55210 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 2/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL13809005 | 0.80 | KIF11 (0.50) | KIF11GRIN2CKDM4EALDH1A1HPGD | |
| SCHEMBL13809243 | 0.78 | KIF11 (0.53) | KIF11GRIN2CKDM4EALDH1A1HPGD | |
| SCHEMBL13809025 | 0.76 | KIF11 (0.42) | KIF11GRIN2CKDM4EALDH1A1HPGD | |
| SCHEMBL11718509 | 0.69 | KIF11 (0.59) | KIF11GRIN2CKDM4EALDH1A1HPGD | |
| SCHEMBL13809244 | 0.64 | GRIN2C (0.36) | GRIN2CALDH1A1LMNAKMT2A | |
| SCHEMBL13809015 | 0.64 | KIF11 (0.45) | KIF11GRIN2CKDM4EALDH1A1HPGD | |
| SCHEMBL11713375 | 0.63 | TRPV1 (0.51) | KIF11ALDH1A1HPGDLMNAKMT2A | |
| SCHEMBL31011305 | 0.60 | KIF11 (0.60) | KIF11GRIN2CKMT2A | |
| SCHEMBL13809014 | 0.60 | KIF11 (0.48) | KIF11GRIN2CKDM4EALDH1A1HPGD | |
| SCHEMBL11711179 | 0.60 | TRPV1 (0.62) | GRIN2CALDH1A1HPGDLMNAKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009073545-A2 | TETRAHYDRO-ISOQUINOLINE PPAT INHIBITORS AS ANTIBACTERIAL AGENTS | MAXTHERA, INC. (US) | 2009-06-11 | — | — | WO | disclosed |