Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 5/20 | 0.34 |
| ▸ | HTR3A | P46098 | 4/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | HTR1D | P28221 | 2/20 | 0.34 |
| ▸ | HTR1B | P28222 | 2/20 | 0.34 |
| ▸ | HTR7 | P34969 | 2/20 | 0.34 |
| ▸ | HTR2B | P41595 | 2/20 | 0.34 |
| ▸ | HTR6 | P50406 | 2/20 | 0.34 |
| ▸ | GABRD | O14764 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8713624 | 0.83 | SIGMAR1 (0.41) | ADRB1ALDH1A1HTR1AHTR3AHTR7 | |
| SCHEMBL8713369 | 0.73 | OPRD1 (0.49) | ADRB1ALDH1A1OPRM1OPRD1CYP2D6 | |
| SCHEMBL8716758 | 0.68 | ADRB1 (0.32) | ADRB1ALDH1A1HTR3ACYP2D6CYP1A2 | |
| SCHEMBL8719888 | 0.68 | MAPT (0.31) | ADRB1HTR3ASIGMAR1 | |
| SCHEMBL8715074 | 0.67 | PLD1 (0.45) | ALDH1A1CXCR4HTR1ACYP2D6CYP3A4 | |
| SCHEMBL654531 | 0.66 | GAA (0.59) | ADRB1ALDH1A1OPRM1OPRD1GABRD | |
| SCHEMBL6007441 | 0.64 | — | — | |
| SCHEMBL14251129 | 0.64 | KMT2A (0.44) | ADRB1ALDH1A1OPRM1OPRD1GABRD | |
| P-Xylene SCHEMBL9289096 | 0.63 | ACHE (0.57) | ADRB1ALDH1A1CXCR4OPRM1HTR3A | |
| SCHEMBL651924 | 0.63 | MAPT (0.69) | ALDH1A1TSHRMEN1KMT2AGAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0822939-A1 | CYCLIC PENTAPEPTIDE LH-RH RECEPTOR ANTAGONISTS | Takeda Chemical Industries, Ltd. (JP) | 1998-02-11 | — | — | EP | disclosed |
| WO-1996034012-A1 | CYCLIC PENTAPEPTIDE LH-RH RECEPTOR ANTAGONISTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-10-31 | — | — | WO | disclosed |