Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 3/20 | 0.48 |
| ▸ | HHAT | Q5VTY9 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | GLA | P06280 | 2/20 | 0.39 |
| ▸ | CASP1 | P29466 | 2/20 | 0.39 |
| ▸ | CASP7 | P55210 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.39 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL13809017 | 0.91 | KIF11 (0.50) | KIF11HHATMAPTALDH1A1HPGD | |
| SCHEMBL13809015 | 0.91 | KIF11 (0.45) | KIF11HHATMAPTALDH1A1HPGD | |
| SCHEMBL13748721 | 0.85 | MEN1 (0.44) | KIF11HHATMAPTALDH1A1HPGD | |
| SCHEMBL13809005 | 0.72 | KIF11 (0.50) | KIF11ALDH1A1HPGDKDM4EGLA | |
| SCHEMBL13809243 | 0.71 | KIF11 (0.53) | KIF11ALDH1A1HPGDKDM4EGLA | |
| SCHEMBL11718509 | 0.70 | KIF11 (0.59) | KIF11MAPTALDH1A1HPGDNPC1 | |
| SCHEMBL13748143 | 0.69 | MAPT (0.75) | MAPTALDH1A1KDM4EGAANPSR1 | |
| SCHEMBL16979272 | 0.64 | KMT2A (0.76) | KIF11MAPTALDH1A1HPGDNPC1 | |
| SCHEMBL11713375 | 0.63 | TRPV1 (0.51) | KIF11MAPTALDH1A1HPGDNPC1 | |
| 2-Picolinic Acid SCHEMBL30822980 | 0.60 | LMNA (0.69) | MAPTALDH1A1HPGDNPC1TP53 |
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 |