Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRD1 | P41143 | 1/20 | 0.50 |
| ▸ | BACE1 | P56817 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.43 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.43 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.43 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8054450 | 0.92 | HTR2A (0.51) | BACE1KDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7280401 | 0.83 | SLC18A3 (0.58) | BACE1KDM4ECYP1A2CYP3A4CYP2D6 | |
| 1-Hexanol SCHEMBL27570555 | 0.81 | OPRD1 (0.55) | OPRD1SMYD3 | |
| SCHEMBL9074777 | 0.78 | HTR2A (0.56) | BACE1KDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL10459141 | 0.78 | HTR2A (0.53) | CYP2D6HTR2AHTR2CCHRM2HTR1A | |
| SCHEMBL2247018 | 0.78 | OPRD1 (0.57) | OPRD1SIGMAR1 | |
| SCHEMBL8050788 | 0.77 | BACE1 (0.54) | BACE1KDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7235979 | 0.77 | SIGMAR1 (0.51) | BACE1KDM4ECYP1A2CYP3A4CYP2D6 | |
| Propane SCHEMBL27576805 | 0.77 | OPRD1 (0.62) | OPRD1SMYD3 | |
| SCHEMBL6620370 | 0.76 | SIGMAR1 (0.53) | BACE1KDM4ECYP1A2CYP3A4CYP2D6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1994022846-A1 | COMPOUNDS ENHANCING ANTITUMOR ACTIVITY OF OTHER CYTOTOXIC AGENTS | PFIZER INC. (US) | 1994-10-13 | — | — | WO | disclosed |