Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 9/20 | 0.76 |
| ▸ | GAA | P10253 | 2/20 | 0.71 |
| ▸ | TSHR | P16473 | 1/20 | 0.71 |
| ▸ | NPC1 | O15118 | 7/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 2/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.56 |
| ▸ | HPGD | P15428 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | PKM | P14618 | 2/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | PPARG | P37231 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL28781748 | 0.85 | RAB9A (0.69) | RAB9AGAATSHRNPC1CYP1A2 | |
| SCHEMBL13081861 | 0.84 | GAA (0.82) | RAB9AGAATSHRNPC1CYP1A2 | |
| SCHEMBL16363834 | 0.83 | RAB9A (0.74) | RAB9AGAATSHRNPC1CYP1A2 | |
| SCHEMBL13055931 | 0.83 | RAB9A (0.53) | RAB9AGAATSHRNPC1CYP1A2 | |
| SCHEMBL18026612 | 0.80 | RAB9A (0.70) | RAB9AGAATSHRNPC1CYP1A2 | |
| SCHEMBL16364134 | 0.79 | RAB9A (0.68) | RAB9AGAATSHRNPC1CYP1A2 | |
| SCHEMBL8909101 | 0.79 | RAB9A (0.76) | RAB9AGAATSHRNPC1CYP1A2 | |
| SCHEMBL8909906 | 0.78 | RAB9A (0.67) | RAB9AGAATSHRNPC1CYP1A2 | |
| SCHEMBL7127716 | 0.78 | NPC1 (0.62) | RAB9AGAANPC1SMN1; SMN2MEN1 | |
| SCHEMBL27730037 | 0.78 | RAB9A (0.80) | RAB9AGAATSHRNPC1CYP1A2 |
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 |