Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 2/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | PBK | Q96KB5 | 1/20 | 0.30 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.30 |
| ▸ | HTR3B | O95264 | 1/20 | 0.30 |
| ▸ | HTR3A | P46098 | 1/20 | 0.30 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.30 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.30 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
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 | 0.73 | SIGMAR1 (0.41) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL8719888 | 0.69 | MAPT (0.31) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL8718452 | 0.68 | ADRB1 (0.44) | ADRB1HTR3ASIGMAR1ALDH1A1CYP1A2 | |
| SCHEMBL8715074 | 0.68 | PLD1 (0.45) | ALDH1A1CYP3A4CYP2D6HPGD | |
| Piperazine SCHEMBL27854594 | 0.65 | NISCH (0.35) | — | |
| SCHEMBL209430 | 0.63 | — | — | |
| SCHEMBL6550891 | 0.63 | — | — | |
| SCHEMBL4328483 | 0.61 | ADRB1 (0.47) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL8718000 | 0.60 | SIGMAR1 (0.46) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL8715002 | 0.60 | SIGMAR1 (0.51) | ADRB1HTR3EHTR3BHTR3AHTR3D |
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 |