Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | ANPEP | P15144 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL68229 | 0.77 | GPR3 (0.41) | ALDH1A1HTR2AMEN1KMT2AHDAC4 | |
| SCHEMBL9187132 | 0.75 | ACP3 (0.48) | CES1HTR2A | |
| SCHEMBL22879435 | 0.75 | BCHE (0.47) | CES1BCHEKDM4EALDH1A1HPGD | |
| SCHEMBL21312228 | 0.75 | CES1 (0.47) | CES1BCHEKDM4EALDH1A1HPGD | |
| SCHEMBL24119326 | 0.71 | BCHE (0.43) | CES1BCHEKDM4EALDH1A1HPGD | |
| SCHEMBL8035811 | 0.70 | CES1 (0.73) | CES1BCHEKDM4EALDH1A1HPGD | |
| SCHEMBL569873 | 0.70 | — | — | |
| SCHEMBL31070117 | 0.70 | — | — | |
| SCHEMBL8506762 | 0.68 | ALDH1A1 (0.41) | CES1BCHEKDM4EALDH1A1HPGD | |
| SCHEMBL2680028 | 0.67 | S100A4 (0.41) | CES1BCHEKDM4EALDH1A1MAOA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5622953-A | DRUG RESISTANT TO ANTICANCER CHEMOTHERAPEUTIC DRUG | BASF AKTIENGESELLSCHAFT (DE) | 1997-04-22 | — | — | US | disclosed |
| EP-0691962-A1 | 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE | BASF AKTIENGESELLSCHAFT (DE) | 1996-01-17 | — | — | EP | disclosed |
| WO-1994022842-A1 | 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE | BASF AKTIENGESELLSCHAFT (DE) | 1994-10-13 | — | — | WO | disclosed |