Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.41 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.39 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 2/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL11114541 | 0.83 | ALDH1A1 (0.48) | ALDH1A1P2RX7PDK1PDK2PDK3 | |
| SCHEMBL533893 | 0.82 | P2RX7 (0.41) | ALDH1A1P2RX7GPR35PDK1PDK2 | |
| SCHEMBL9978726 | 0.81 | CYP3A4 (0.61) | CYP3A4CYP2C9ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL16110186 | 0.81 | PDCD1 (0.43) | ALDH1A1P2RX7GPR35PDCD1CD274 | |
| SCHEMBL11116312 | 0.78 | CYP4F2 (0.47) | ALDH1A1P2RX7GPR35PDCD1CD274 | |
| SCHEMBL6119537 | 0.77 | ALDH1A1 (0.41) | ALDH1A1TSHRSMN1; SMN2PDCD1CD274 | |
| SCHEMBL2672524 | 0.77 | MMP8 (0.50) | ALDH1A1TSHRSMN1; SMN2NPSR1MAPT | |
| SCHEMBL11450832 | 0.76 | CYP3A4 (0.58) | CYP3A4CYP2C9ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL14107962 | 0.76 | CYP2A6 (0.47) | ALDH1A1TSHRP2RX7SMN1; SMN2PDK1 | |
| SCHEMBL2673394 | 0.75 | ALDH1A1 (0.50) | CYP3A4CYP2C9ALDH1A1TSHRSMN1; SMN2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0038071-B1 | NEW UNLABELLED AND RADIOACTIVE LABELLED DERIVATIVES OF BUTYLAMINO PROPIOPHENONE, THEIR PREPARATION, IMMUNOGENS OBTAINED FROM THE UNLABELLED DERIVATIVES AND A PROCESS FOR IMMUNOGEN PREPARATION, ANTISERA RAISED USING THE IMMUNOGENS AND A METHOD FOR RAISING ANTISERA, A RADIOIMMUNOASSAY METHOD AND A TEST KIT FOR USE IN THE ASSAY METHOD | THE WELLCOME FOUNDATION LIMITED (GB) | 1984-11-14 | — | — | EP | disclosed |
| US-4356165-A | Bupropion radioimmunoassay, and kit | BURROUGHS WELLCOME CO. (US) | 1982-10-26 | — | — | US | disclosed |
| US-4355179-A | Radioactive nuclide labeled propiophenone compounds | BURROUGHS WELLCOME CO. (US) | 1982-10-19 | — | — | US | disclosed |
| US-4347177-A | Compounds and methods of making them | BURROUGHS WELLCOME CO. (US) | 1982-08-31 | — | — | US | disclosed |
| US-4347382-A | 3H Labeled compounds | BURROUGHS WELLCOME CO. (US) | 1982-08-31 | — | — | US | disclosed |
| US-4347176-A | Compounds and methods of making same | BURROUGHS WELLCOME CO. (US) | 1982-08-31 | — | — | US | disclosed |
| US-4347178-A | Compounds and methods of making | BURROUGHS WELLCOME CO. (US) | 1982-08-31 | — | — | US | disclosed |
| EP-0038071-A2 | New unlabelled and radioactive labelled derivatives of butylamino propiophenone, their preparation, immunogens obtained from the unlabelled derivatives and a process for immunogen preparation, antisera raised using the immunogens and a method for raising antisera, a radioimmunoassay method and a test kit for use in the assay method | THE WELLCOME FOUNDATION LIMITED (GB) | 1981-10-21 | — | — | EP | disclosed |