Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 2/20 | 0.59 |
| ▸ | DRD2 | P14416 | 1/20 | 0.56 |
| ▸ | DRD4 | P21917 | 1/20 | 0.56 |
| ▸ | DRD3 | P35462 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.55 |
| ▸ | CCR3 | P51677 | 1/20 | 0.51 |
| ▸ | ACHE | P22303 | 2/20 | 0.49 |
| ▸ | BCHE | P06276 | 1/20 | 0.49 |
| ▸ | BACE1 | P56817 | 1/20 | 0.49 |
| ▸ | MAN2A1 | Q16706 | 1/20 | 0.48 |
| ▸ | MAN1B1 | Q9UKM7 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10692701 | 0.99 | CXCR4 (0.58) | CXCR4DRD2DRD4DRD3CYP1A2 | |
| SCHEMBL9687761 | 0.87 | CXCR4 (0.61) | CXCR4DRD2DRD4DRD3CYP1A2 | |
| SCHEMBL8225315 | 0.86 | CXCR4 (0.59) | CXCR4DRD2DRD4DRD3CYP1A2 | |
| SCHEMBL3810288 | 0.83 | CXCR4 (0.62) | CXCR4DRD2DRD4DRD3CYP1A2 | |
| SCHEMBL9688622 | 0.82 | CXCR4 (0.58) | CXCR4DRD2DRD4DRD3CYP1A2 | |
| SCHEMBL6312697 | 0.81 | CXCR4 (0.59) | CXCR4DRD2DRD4DRD3CYP1A2 | |
| SCHEMBL28788675 | 0.81 | CCR3 (0.62) | CXCR4DRD2DRD4DRD3CYP1A2 | |
| SCHEMBL4923829 | 0.80 | CXCR4 (0.61) | CXCR4DRD2DRD4DRD3CYP1A2 | |
| SCHEMBL10620665 | 0.79 | CXCR4 (0.54) | CXCR4DRD2DRD4DRD3CYP1A2 | |
| SCHEMBL1220329 | 0.79 | HDAC3 (0.60) | CXCR4DRD2DRD4DRD3ACHE |
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 |
|---|---|---|---|---|---|---|---|
| US-4791118-A | BACTERICIDES; GRAMNEGATIVE AND -POSITIVE BACTERIA; ANIMAL INFECTIONS; PLANT DISEASES | KYORIN PHARMACEUTICAL CO., LTD. (JP) | 1988-12-13 | — | — | US | disclosed |
| EP-0216323-A2 | Quinolonecarboxylic acid derivatives and their preparation | KYORIN PHARMACEUTICAL CO., LTD. (JP) | 1987-04-01 | — | — | EP | disclosed |