Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.60 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.60 |
| ▸ | DRD2 | P14416 | 2/20 | 0.58 |
| ▸ | DRD3 | P35462 | 2/20 | 0.58 |
| ▸ | CACNA1G | O43497 | 5/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | HTR1A | P08908 | 1/20 | 0.49 |
| ▸ | DRD4 | P21917 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL12732277 | 0.96 | CYP2A13 (0.59) | CYP2A13ALDH1A1TDP1ALOX15DRD2 | |
| SCHEMBL14608742 | 0.91 | CYP2A13 (0.64) | CYP2A13ALDH1A1TDP1ALOX15DRD2 | |
| SCHEMBL656160 | 0.87 | CYP2A13 (0.62) | CYP2A13ALDH1A1TDP1ALOX15CACNA1G | |
| SCHEMBL12709637 | 0.85 | CYP2A13 (0.57) | CYP2A13ALDH1A1TDP1ALOX15CACNA1G | |
| SCHEMBL19998608 | 0.80 | CYP2A13 (0.61) | CYP2A13ALDH1A1TDP1ALOX15CACNA1G | |
| SCHEMBL18939695 | 0.80 | DRD2 (0.64) | CYP2A13ALDH1A1TDP1ALOX15DRD2 | |
| SCHEMBL11938897 | 0.77 | DRD2 (0.48) | CYP2A13ALDH1A1DRD2DRD3KDM4E | |
| SCHEMBL209940 | 0.76 | CYP2A13 (0.68) | CYP2A13ALDH1A1TDP1ALOX15CACNA1G | |
| SCHEMBL16256924 | 0.76 | KDM4E (0.68) | CYP2A13ALDH1A1DRD2DRD3KDM4E | |
| SCHEMBL4107051 | 0.76 | CYP2A13 (1.00) | CYP2A13ALDH1A1TDP1ALOX15CACNA1G |
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-1813616-A2 | Pyrazoloquinolines with immunomodulating activity | Active Biotech AB (SE) | 2007-08-01 | — | — | EP | disclosed |
| EP-1562944-B1 | PYRAZOLOQUINOLINES WITH IMMUNOMODULATING ACTIVITY | ACTIVE BIOTECH AB (SE) | 2007-02-14 | — | — | EP | disclosed |