Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 5/20 | 0.38 |
| ▸ | DRD2 | P14416 | 4/20 | 0.38 |
| ▸ | DRD1 | P21728 | 4/20 | 0.38 |
| ▸ | DRD5 | P21918 | 4/20 | 0.38 |
| ▸ | DRD4 | P21917 | 2/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.37 |
| ▸ | MAOA | P21397 | 2/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | PNMT | P11086 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPN | P05981 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL68228 | 0.80 | PNMT (0.49) | CYP1A2DRD3DRD2DRD4TRPA1 | |
| SCHEMBL68803 | 0.76 | MAOA (0.53) | TRPA1MAOAMAOBNPC1RAB9A | |
| SCHEMBL11864077 | 0.74 | BCL2L1 (0.34) | DRD3DRD2DRD1DRD5CYP2A6 | |
| SCHEMBL4923692 | 0.73 | TRPA1 (0.53) | DRD2TRPA1TSHRPNMTALDH1A1 | |
| SCHEMBL2120189 | 0.72 | MAOA (0.47) | CYP1A2DRD3DRD2DRD1DRD4 | |
| SCHEMBL29935665 | 0.71 | CYP1A2 (0.48) | CYP1A2DRD3DRD2DRD1DRD5 | |
| Ammonia Solution, Strong SCHEMBL28771343 | 0.71 | TRPA1 (0.51) | DRD2TRPA1TSHRPNMTALDH1A1 | |
| SCHEMBL7711049 | 0.71 | BCL2L1 (0.45) | MAOACYP2A6TSHRMAOBMEN1 | |
| SCHEMBL2858000 | 0.71 | BCL2L1 (0.50) | TSHRMEN1ALDH1A1THRBKMT2A | |
| Hydrochloric Acid SCHEMBL3574165 | 0.70 | TRPA1 (0.53) | DRD2TRPA1TSHRPNMTALDH1A1 |
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 |