Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | CTSD | P07339 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | FNTA | P49354 | 1/20 | 0.36 |
| ▸ | FNTB | P49356 | 1/20 | 0.36 |
| ▸ | SRD5A2 | P31213 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11727966 | 0.72 | SLC6A2 (0.39) | CES1CES2AKR1B1CTSDMEN1 | |
| Phenylacetic Acid SCHEMBL27717158 | 0.71 | AKR1B1 (0.74) | CES1CES2AKR1B1MEN1KMT2A | |
| SCHEMBL6542682 | 0.71 | HSD11B1 (0.43) | MEN1KMT2AL3MBTL1TSHRCRBN | |
| SCHEMBL10965642 | 0.68 | OPRM1 (0.56) | CES1CES2AKR1B1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL27628989 | 0.67 | OPRL1 (0.40) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7589446 | 0.66 | KDM4E (0.31) | KMT2A | |
| SCHEMBL8392962 | 0.66 | CES1 (0.47) | CES1CES2AKR1B1MEN1KMT2A | |
| Piperazine SCHEMBL4405486 | 0.66 | CES2 (0.47) | CES1CES2AKR1B1CTSDMEN1 | |
| Phenylacetic Acid SCHEMBL9555521 | 0.65 | AKR1B1 (0.68) | CES1CES2AKR1B1MEN1KMT2A | |
| SCHEMBL8391946 | 0.65 | CES1 (0.50) | CES1CES2AKR1B1MEN1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0691962-B1 | 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE | BASF AG (DE) | 2000-09-13 | — | — | EP | disclosed |
| 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 |