Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.50 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9534693 | 0.94 | CYP11B2 (0.47) | ALDH1A1NPSR1CYP11B2CYP11B1CYP19A1 | |
| SCHEMBL8482013 | 0.82 | CHRNB2 (0.43) | ALDH1A1NPSR1CYP11B2CYP11B1SMN1; SMN2 | |
| SCHEMBL18700856 | 0.82 | CYP11B2 (0.52) | ALDH1A1NPSR1CYP11B2CYP11B1CYP19A1 | |
| SCHEMBL18700858 | 0.82 | CYP11B2 (0.52) | ALDH1A1NPSR1CYP11B2CYP11B1CYP19A1 | |
| SCHEMBL8910489 | 0.76 | CYP2C19 (0.40) | ALDH1A1CYP11B2CYP19A1SMN1; SMN2MAPT | |
| SCHEMBL1119493 | 0.76 | POLB (0.44) | SMN1; SMN2MAPTPOLB | |
| SCHEMBL1119454 | 0.76 | POLB (0.44) | SMN1; SMN2MAPTPOLB | |
| SCHEMBL217659 | 0.76 | POLB (0.44) | SMN1; SMN2MAPTPOLB | |
| SCHEMBL316481 | 0.73 | POLB (0.45) | SMN1; SMN2MAPTPOLB | |
| Nicotinaldehyde SCHEMBL28189530 | 0.73 | ALDH1A1 (0.47) | ALDH1A1NPSR1CYP11B2CYP11B1CYP19A1 |
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 |