Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C2 | P08235 | 1/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 6/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.37 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.36 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.36 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.36 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.36 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.36 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL1124564 | 1.00 | NR3C2 (0.40) | NR3C2TRPV1ADRB2MAOBP2RX7 | |
| SCHEMBL1124160 | 0.88 | TRPV1 (0.50) | NR3C2TRPV1HDAC1CYP3A4CYP2C9 | |
| SCHEMBL1124163 | 0.88 | TRPV1 (0.50) | NR3C2TRPV1HDAC1CYP3A4CYP2C9 | |
| SCHEMBL1124178 | 0.87 | KIF11 (0.47) | NR3C2MAOBPTGDR2KMT2APSEN1 | |
| SCHEMBL1124182 | 0.87 | KIF11 (0.47) | NR3C2MAOBPTGDR2KMT2APSEN1 | |
| SCHEMBL1124354 | 0.81 | RXRA (0.39) | NR3C2MAOBHDAC1PTGDR2PSEN1 | |
| SCHEMBL1124349 | 0.81 | RXRA (0.39) | NR3C2MAOBHDAC1PTGDR2PSEN1 | |
| SCHEMBL1124531 | 0.81 | ALDH1A1 (0.46) | PTGDR2LMNACYP2C9 | |
| SCHEMBL1124537 | 0.81 | ALDH1A1 (0.46) | PTGDR2LMNACYP2C9 | |
| SCHEMBL1124355 | 0.78 | KDM4E (0.43) | NR3C2PTGDR2LMNACYP2C9 |
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-2282996-A1 | TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS | Actelion Pharmaceuticals Ltd. (CH) | 2011-02-16 | — | — | EP | claimed |