Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | HTT | P42858 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | XBP1 | P17861 | 1/20 | 0.37 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | HBB | P68871 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL9132404 | 0.89 | MAPT (0.39) | CYP2C19ALDH1A1MAPTHTTSMN1; SMN2 | |
| SCHEMBL4203195 | 0.79 | NPC1 (0.41) | CYP2C19POLBALDH1A1MAPTHTT | |
| SCHEMBL8481040 | 0.79 | AKT1 (0.39) | ALDH1A1MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL4156774 | 0.77 | CYP2C19 (0.38) | CYP2C19MAPTMAPK1CYP11B2CYP1A2 | |
| SCHEMBL1119454 | 0.77 | POLB (0.44) | POLBMAPTSMN1; SMN2HSP90AA1MAPK1 | |
| SCHEMBL1119493 | 0.77 | POLB (0.44) | POLBMAPTSMN1; SMN2HSP90AA1MAPK1 | |
| SCHEMBL217659 | 0.77 | POLB (0.44) | POLBMAPTSMN1; SMN2HSP90AA1MAPK1 | |
| SCHEMBL11889472 | 0.76 | SMN1; SMN2 (0.38) | ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL8911537 | 0.76 | ALDH1A1 (0.51) | CYP2C19POLBALDH1A1MAPTHTT | |
| SCHEMBL316481 | 0.75 | POLB (0.45) | POLBMAPTSMN1; SMN2HSP90AA1MAPK1 |
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 2 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 |
| WO-1994022842-A1 | 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE | BASF AKTIENGESELLSCHAFT (DE) | 1994-10-13 | — | — | WO | disclosed |