Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 1/20 | 0.59 |
| ▸ | CTSS | P25774 | 1/20 | 0.56 |
| ▸ | CTSK | P43235 | 1/20 | 0.56 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.56 |
| ▸ | GRM5 | P41594 | 5/20 | 0.55 |
| ▸ | IDO1 | P14902 | 2/20 | 0.49 |
| ▸ | XDH | P47989 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL23662309 | 0.83 | ADORA2A (0.57) | KMOCLK4GRM5IDO1XDH | |
| SCHEMBL28844124 | 0.83 | KMO (0.57) | KMOCTSSCTSKALDH1A1IRAK4 | |
| SCHEMBL7260264 | 0.83 | CLK4 (0.54) | KMOCTSSCTSKCLK4GRM5 | |
| SCHEMBL1509690 | 0.81 | KMO (0.58) | KMOCTSSCTSKCYP1A2CYP2C19 | |
| SCHEMBL9792939 | 0.80 | CLK4 (0.62) | CLK4GRM5IDO1XDHMAOB | |
| SCHEMBL9792785 | 0.79 | GRM5 (0.50) | CTSSCTSKCLK4GRM5IDO1 | |
| SCHEMBL25900264 | 0.79 | GRM5 (0.50) | CTSSCTSKCLK4GRM5IDO1 | |
| SCHEMBL18535 | 0.79 | CTSS (0.63) | KMOCTSSCTSKIRAK4 | |
| SCHEMBL16395695 | 0.79 | GRM5 (0.66) | CLK4GRM5CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL4901397 | 0.78 | CLK4 (0.56) | CLK4GRM5IDO1XDHCYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5064832-A | Bipyrimidine Compounds, Antitumor Agents | CIBA-GEIGY CORPORATION (US) | 1991-11-12 | — | — | US | disclosed |
| US-4968804-A | Bipyridine compounds | CIBA-GEIGY CORPORATION (US) | 1990-11-06 | — | — | US | disclosed |
| EP-0350448-A1 | Biaryl compounds | CIBA-GEIGY AG (CH) | 1990-01-10 | — | — | EP | disclosed |