Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 5/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | GFER | P55789 | 1/20 | 0.32 |
| ▸ | METAP2 | P50579 | 1/20 | 0.31 |
| ▸ | METAP1 | P53582 | 1/20 | 0.31 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1654724 | 0.93 | COMT (0.36) | COMTTDP1ALDH1A1MEN1KMT2A | |
| SCHEMBL11903869 | 0.85 | CA1 (0.37) | COMTALDH1A1KDM4EL3MBTL1 | |
| SCHEMBL1655563 | 0.84 | COMT (0.34) | COMTTDP1ALDH1A1MEN1KMT2A | |
| SCHEMBL12780362 | 0.84 | TDP1 (0.35) | COMTTDP1ALDH1A1MEN1KMT2A | |
| SCHEMBL10011877 | 0.83 | COMT (0.34) | COMTALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL4762067 | 0.81 | KMT2A (0.39) | COMTTDP1ALDH1A1MEN1KMT2A | |
| SCHEMBL1654648 | 0.79 | CA1 (0.37) | COMTALDH1A1KDM4EL3MBTL1 | |
| SCHEMBL7258128 | 0.79 | TDP1 (0.45) | COMTTDP1ALDH1A1MEN1KMT2A | |
| SCHEMBL15371910 | 0.79 | COMT (0.40) | COMTTDP1ALDH1A1MEN1KMT2A | |
| SCHEMBL1654647 | 0.79 | CA1 (0.37) | ALDH1A1KDM4EL3MBTL1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2675803-A1 | MACROCYCLIC INTEGRASE INHIBITORS FOR USE IN THE TREATMENT OF FELINE IMMUNODEFICIENCY VIRUS | Elanco Animal Health Ireland Limited (IE) | 2013-12-25 | — | — | EP | disclosed |
| WO-2012112345-A1 | MACROCYCLIC INTEGRASE INHIBITORS FOR USE IN THE TREATMENT OF FELINE IMMUNODEFICIENCY VIRUS | ELANCO ANIMAL HEALTH IRELAND LIMITED (US) | 2012-08-23 | — | — | WO | disclosed |
| EP-2488521-A1 | MACROCYCLIC INTEGRASE INHIBITORS | Elanco Animal Health Ireland Limited (IE) | 2012-08-22 | — | — | EP | disclosed |
| WO-2011045330-A1 | MACROCYCLIC INTEGRASE INHIBITORS | TIBOTEC PHARMACEUTICALS (IE) | 2011-04-21 | — | — | WO | disclosed |