Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPMT | P51580 | 1/20 | 0.48 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.43 |
| ▸ | CSNK2A2 | P19784 | 2/20 | 0.42 |
| ▸ | CSNK2B | P67870 | 2/20 | 0.42 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL13306259 | 0.90 | TPMT (0.52) | TPMTHCAR1PDK2ALDH1A1NAMPT | |
| SCHEMBL6648158 | 0.86 | PDK2 (0.40) | TPMTCSNK2A2CSNK2BCSNK2A1PDK2 | |
| SCHEMBL3854271 | 0.83 | HCAR3 (0.44) | TPMTPDK2ALDH1A1PLA2G2ANAMPT | |
| SCHEMBL2200828 | 0.81 | KMT2A (0.54) | CSNK2A2CSNK2BCSNK2A1PDK2ALDH1A1 | |
| Hexane SCHEMBL27639643 | 0.81 | TPMT (0.67) | TPMTHCAR1ALDH1A1PLA2G2ATSHR | |
| SCHEMBL2953707 | 0.79 | TPMT (0.53) | TPMTHCAR1HPGDLMNASMN1; SMN2 | |
| SCHEMBL12110049 | 0.78 | TSHR (0.50) | ALDH1A1GAAHPGDTSHRLMNA | |
| SCHEMBL3860730 | 0.78 | MEN1 (0.40) | TPMTPDK2ALDH1A1NAMPTRAB9A | |
| SCHEMBL2228900 | 0.78 | HPGD (0.59) | PDK2ALDH1A1NAMPTCYP1A2GAA | |
| SCHEMBL5124216 | 0.78 | MLYCD (0.56) | TPMTKDM4E |
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-2010107384-A1 | ASPARTYL PROTEASE INHIBITORS | MEDIVIR AB (SE) | 2010-09-23 | — | — | WO | disclosed |