Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.57 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | CASP7 | P55210 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CNR1 | P21554 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3492090 | 0.83 | CYP1A2 (0.54) | TAAR1FFAR1HDAC1HDAC6POLB | |
| SCHEMBL13329762 | 0.83 | SRC (0.52) | TAAR1RAB9AMAPTMEN1KMT2A | |
| SCHEMBL17742175 | 0.81 | HPGD (0.55) | TAAR1TP53GAAKMT2A | |
| SCHEMBL14724832 | 0.81 | MEN1 (0.53) | TAAR1FFAR1HDAC1HDAC6POLB | |
| SCHEMBL16015432 | 0.81 | MAPT (0.48) | FFAR1HDAC1HDAC6GAAMAPT | |
| SCHEMBL19540907 | 0.81 | MTNR1A (0.48) | FFAR1HDAC6GAAMAPT | |
| SCHEMBL2290 | 0.81 | ALDH1A1 (0.60) | TAAR1FFAR1RAB9ATP53NR3C2 | |
| SCHEMBL7340106 | 0.80 | TAAR1 (0.57) | TAAR1FFAR1NR3C2CASP3CASP7 | |
| SCHEMBL14548815 | 0.80 | MAOA (0.50) | FFAR1HDAC6GAAMAPT | |
| SCHEMBL19182347 | 0.80 | FFAR1 (0.49) | FFAR1HDAC1HDAC6POLBRAB9A |
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-6069247-A | REACTING AN ACETYLENECARBOXY AMIDE AND AN ARYL OR HETEROCYCLYL HALIDE OR A GROUP ENHANCING THE ELECTROPHILICITY OF THE ATOM TO WHICH IT IS ATTACHED FOR DISPLACEMENT; USING A PALLADIUM COMPOUND CATALYST, A BASE AND AN ACID | ELI LILLY AND COMPANY (US) | 2000-05-30 | — | — | US | disclosed |
| US-5917038-A | REACTING PROPIOLAMIDE WITH ACTIVATED AROMATIC RING IN THE PRESENCE OF A PALLADIUM CATALYST | ELI LILLY AND COMPANY (US) | 1999-06-29 | — | — | US | disclosed |