Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.37 |
| ▸ | TFEB | P19484 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7138672 | 1.00 | HCAR2 (0.41) | HCAR2ABCB1POLBNFE2L2AR | |
| SCHEMBL7136740 | 0.91 | HCAR2 (0.41) | HCAR2ABCB1POLBNFE2L2AR | |
| SCHEMBL7136721 | 0.91 | HCAR2 (0.41) | HCAR2ABCB1POLBNFE2L2AR | |
| SCHEMBL7136713 | 0.82 | ABCB1 (0.49) | ABCB1POLBLMNAMAPTHPGD | |
| SCHEMBL7136707 | 0.82 | ABCB1 (0.49) | ABCB1POLBLMNAMAPTHPGD | |
| SCHEMBL7139096 | 0.78 | MAOB (0.42) | NFE2L2ARMAOBLMNACYP1A2 | |
| SCHEMBL7139094 | 0.78 | MAOB (0.42) | NFE2L2ARMAOBLMNACYP1A2 | |
| SCHEMBL7136432 | 0.78 | MAOB (0.46) | POLBNFE2L2MAOBNPC1LMNA | |
| SCHEMBL7136433 | 0.78 | MAOB (0.46) | POLBNFE2L2MAOBNPC1LMNA | |
| SCHEMBL7142487 | 0.77 | RAB9A (0.36) | MAOBNPC1MAPTRAB9AHPGD |
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-0996439-B1 | BETA-ALKOXYACRYLATES AGAINST MALARIA | HOFFMANN LA ROCHE (CH) | 2003-01-08 | — | — | EP | claimed |