Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DNMT1 | P26358 | 2/20 | 0.34 |
| ▸ | EHMT2 | Q96KQ7 | 2/20 | 0.34 |
| ▸ | CTSB | P07858 | 2/20 | 0.33 |
| ▸ | PPP3CB | P16298 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | DHODH | Q02127 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.30 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.30 |
| ▸ | HTR3B | O95264 | 1/20 | 0.30 |
| ▸ | HTR3A | P46098 | 1/20 | 0.30 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.30 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4294855 | 0.96 | DNMT1 (0.34) | DNMT1EHMT2CTSBPPP3CBELANE | |
| SCHEMBL2426760 | 0.86 | DNMT1 (0.33) | DNMT1EHMT2CTSBMAPTDHODH | |
| SCHEMBL2429482 | 0.85 | CYP3A4 (0.38) | CTSBELANEKCNH2 | |
| SCHEMBL13026228 | 0.83 | AAK1 (0.35) | DNMT1EHMT2CTSBPPP3CBTDP1 | |
| SCHEMBL4298045 | 0.82 | CYP3A4 (0.38) | CTSBELANEKCNH2TDP1 | |
| SCHEMBL8221244 | 0.80 | AAK1 (0.34) | CTSBPPP3CB | |
| SCHEMBL2894467 | 0.79 | AAK1 (0.35) | DNMT1EHMT2CTSBPPP3CB | |
| SCHEMBL12963581 | 0.77 | MEN1 (0.39) | DHODHTDP1EGFRHTR3EHTR3B | |
| SCHEMBL8213890 | 0.77 | UCHL1 (0.43) | — | |
| SCHEMBL13047543 | 0.77 | CTSB (0.39) | CTSBTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2041159-B1 | MACROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS | ANGELETTI P IST RICHERCHE BIO (IT) | 2011-09-28 | — | — | EP | disclosed |