Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.36 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.36 |
| ▸ | CHRNG | P07510 | 1/20 | 0.36 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | CHRND | Q07001 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | DBH | P09172 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11108767 | 0.80 | SLC6A3 (0.62) | ALDH1A1SLC6A4SLC6A3SLC6A2CHRNA1 | |
| Hydrochloric Acid SCHEMBL11115575 | 0.79 | SLC6A3 (0.61) | ALDH1A1SLC6A4SLC6A3SLC6A2CHRNA1 | |
| SCHEMBL11109327 | 0.78 | MAPT (0.41) | ALDH1A1HPGDCYP4A11TAS1R3TAS1R1 | |
| SCHEMBL633270 | 0.76 | TSHR (0.53) | ALDH1A1CYP1A2CYP2C9SLC6A4SLC6A3 | |
| SCHEMBL11113373 | 0.76 | ALDH1A1 (0.38) | ALDH1A1CYP1A2CYP2C9SLC6A4SLC6A3 | |
| SCHEMBL12438197 | 0.73 | KDM4E (0.50) | SLC6A4SLC6A3SLC6A2CHRNA1CHRNG | |
| SCHEMBL634550 | 0.73 | SLC6A2 (0.60) | ALDH1A1CYP1A2CYP2C9SLC6A4SLC6A3 | |
| SCHEMBL786551 | 0.72 | SMN1; SMN2 (0.51) | ALDH1A1CYP1A2CYP2C9SLC6A4SLC6A3 | |
| SCHEMBL4104239 | 0.72 | SLC6A2 (0.46) | ALDH1A1CYP1A2CYP2C9SLC6A4SLC6A3 | |
| SCHEMBL5937704 | 0.72 | KDM4E (0.52) | SLC6A4SLC6A3SLC6A2CHRNA1CHRNG |
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-4347178-A | Compounds and methods of making | 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 |
| 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 |