Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 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 | |
|---|---|---|---|---|
| SCHEMBL752689 | 1.00 | MAPK1 (0.37) | MAPK1CYP1A2KDM4ELMNAHTT | |
| SCHEMBL743006 | 0.82 | KMT2A (0.38) | MAPK1CYP1A2KDM4ELMNAHTT | |
| SCHEMBL743007 | 0.82 | KMT2A (0.38) | MAPK1CYP1A2KDM4ELMNAHTT | |
| SCHEMBL3702385 | 0.79 | KMT2A (0.41) | MAPK1CYP1A2KDM4ELMNAHTT | |
| SCHEMBL3702387 | 0.79 | KMT2A (0.41) | MAPK1CYP1A2KDM4ELMNAHTT | |
| SCHEMBL3647045 | 0.73 | L3MBTL1 (0.55) | KDM4EHIF1AKMT2AMEN1MAPT | |
| SCHEMBL3647048 | 0.73 | L3MBTL1 (0.55) | KDM4EHIF1AKMT2AMEN1MAPT | |
| SCHEMBL3639332 | 0.71 | KMT2A (0.45) | MAPK1CYP1A2KDM4ELMNAHTT | |
| SCHEMBL2712266 | 0.71 | LIPG (0.49) | MAPK1CYP1A2KDM4ELMNAHTT | |
| SCHEMBL3639331 | 0.71 | KMT2A (0.45) | MAPK1CYP1A2KDM4ELMNAHTT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2429290-A1 | COMPOUNDS AND METHODS FOR TREATING AIDS AND HIV INFECTIONS | Purdue Research Foundation (US) | 2012-03-21 | — | — | EP | disclosed |
| WO-2010132494-A1 | COMPOUNDS AND METHODS FOR TREATING AIDS AND HIV INFECTIONS | GHOSH ARUN K (US) | 2010-11-18 | — | — | WO | disclosed |