Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.39 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HTR5A | P47898 | 4/20 | 0.31 |
| ▸ | HTR3A | P46098 | 3/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.31 |
| ▸ | DRD4 | P21917 | 2/20 | 0.31 |
| ▸ | HTR1D | P28221 | 2/20 | 0.31 |
| ▸ | HTR2A | P28223 | 2/20 | 0.31 |
| ▸ | HTR2C | P28335 | 2/20 | 0.31 |
| ▸ | HTR7 | P34969 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL8624937 | 0.98 | ALDH1A1 (0.38) | ALDH1A1LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8626914 | 0.81 | ALDH1A1 (0.60) | ALDH1A1LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL27406600 | 0.67 | CA12 (0.62) | ALDH1A1HTR5A | |
| Water SCHEMBL27402722 | 0.66 | CA12 (0.61) | ALDH1A1HTR5A | |
| SCHEMBL8629594 | 0.66 | SLC40A1 (0.34) | ALDH1A1LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7950905 | 0.60 | ABCC8 (0.56) | ALDH1A1LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL17059865 | 0.59 | CA12 (0.47) | ALDH1A1LMNAABCC8KCNJ11 | |
| SCHEMBL7950622 | 0.59 | ABCC8 (0.73) | ALDH1A1LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL30885709 | 0.58 | ALDH1A1 (0.49) | ALDH1A1LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL718987 | 0.58 | CYP3A4 (0.71) | ALDH1A1LMNACYP1A2CYP3A4CYP2D6 |
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-0618209-B1 | Pyridothiadiazines, processes for their preparation and pharmaceutical compositions containing them | ADIR (FR) | 1998-12-23 | — | — | EP | disclosed |
| EP-0618209-A1 | Pyridothiadiazines, processes for their preparation and pharmaceutical compositions containing them | ADIR ET COMPAGNIE (FR) | 1994-10-05 | — | — | EP | disclosed |