Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CFTR | P13569 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.39 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4238433 | 0.83 | SLC6A3 (0.49) | CYP11B2CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL8910008 | 0.80 | CYP19A1 (0.42) | CYP11B2POLBSLC6A3MAPTSMN1; SMN2 | |
| SCHEMBL3071813 | 0.80 | IDO1 (0.49) | SLC6A3MAPTKDM4EPKM | |
| SCHEMBL2170788 | 0.78 | IDO1 (0.46) | CYP3A4CYP2C19MAPTKDM4E | |
| SCHEMBL3686055 | 0.77 | CYP11B2 (0.49) | CYP11B2CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL8909655 | 0.76 | CYP11B2 (0.47) | CYP11B2CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL22003589 | 0.73 | CYP11B2 (0.45) | CYP11B2CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL7407401 | 0.72 | CYP11B2 (0.44) | CYP11B2CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL19310680 | 0.71 | SLC6A4 (0.46) | CYP11B2CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL8911618 | 0.70 | CFTR (0.52) | CYP3A4CYP1A2ALDH1A1TSHRCFTR |
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 |