Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | FAAH | O00519 | 2/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | GMNN | O75496 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL9630645 | 0.98 | TSHR (0.50) | TSHRFAAHTRPV1MEN1CYP3A4 | |
| SCHEMBL9630640 | 0.98 | TSHR (0.50) | TSHRFAAHTRPV1MEN1CYP3A4 | |
| SCHEMBL1485910 | 0.93 | — | — | |
| SCHEMBL1485908 | 0.93 | — | — | |
| SCHEMBL284503 | 0.85 | FAAH (0.48) | TSHRFAAHTRPV1ALDH1A1MEN1 | |
| SCHEMBL284502 | 0.85 | FAAH (0.48) | TSHRFAAHTRPV1ALDH1A1MEN1 | |
| SCHEMBL7103122 | 0.83 | FAAH (0.52) | TSHRFAAHTRPV1MEN1CYP3A4 | |
| SCHEMBL1485591 | 0.83 | — | — | |
| SCHEMBL22015838 | 0.83 | FAAH (0.52) | TSHRFAAHTRPV1MEN1CYP3A4 | |
| SCHEMBL8699327 | 0.83 | FAAH (0.52) | TSHRFAAHTRPV1MEN1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-4760089-A | Benzonitrile derivative; enzyme inhibitor | SMITHKLINE BECKMAN CORPORATION (US) | 1988-07-26 | — | — | US | disclosed |
| EP-0219961-A1 | Irreversible dopamine-B-hydroxylase inhibitors | SMITHKLINE BECKMAN CORPORATION (US) | 1987-04-29 | — | — | EP | disclosed |