Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.35 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6281197 | 0.82 | KDM4E (0.37) | KDM4ENAPRTHCAR2LMNAALDH1A1 | |
| SCHEMBL1579715 | 0.77 | KDM4E (0.42) | KDM4ENAPRTHCAR2LMNAALDH1A1 | |
| SCHEMBL6278031 | 0.76 | TSHR (0.41) | KDM4EALDH1A1POLBCHRM2CHRM1 | |
| SCHEMBL6278030 | 0.73 | POLB (0.38) | KDM4EALDH1A1POLBCHRM1CYP3A4 | |
| SCHEMBL7973738 | 0.71 | KDM4E (0.40) | KDM4ENAPRTHCAR2LMNAALDH1A1 | |
| SCHEMBL6847249 | 0.70 | KDM4E (0.40) | KDM4ENAPRTHCAR2LMNAKMT2A | |
| SCHEMBL11398630 | 0.70 | KDM4E (0.37) | KDM4ENAPRTHCAR2LMNAALDH1A1 | |
| SCHEMBL10714528 | 0.68 | KDM4E (0.39) | KDM4ENAPRTHCAR2LMNAALDH1A1 | |
| SCHEMBL642416 | 0.67 | — | — | |
| SCHEMBL27977561 | 0.67 | — | — |
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-2004022567-A1 | HETEROARYL-ETHANOLAMINE DERIVATIVES AS ANTIVIRAL AGENTS | PHARMACIA & UPJOHN COMPANY LLC (US) | 2004-03-18 | — | — | WO | disclosed |