Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIP4K2A | P48426 | 6/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | SHMT1 | P34896 | 2/20 | 0.41 |
| ▸ | SHMT2 | P34897 | 2/20 | 0.41 |
| ▸ | CTSS | P25774 | 2/20 | 0.39 |
| ▸ | CTSK | P43235 | 2/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11084595 | 0.88 | ALDH1A1 (0.51) | PIP4K2AALDH1A1ADORA2AADORA1PDE10A | |
| SCHEMBL11094668 | 0.88 | ADORA1 (0.46) | PIP4K2AALDH1A1CTSSCTSKADORA2A | |
| SCHEMBL11090534 | 0.80 | CTSS (0.49) | ALDH1A1CTSSCTSKADORA2AADORA1 | |
| SCHEMBL11090728 | 0.76 | CTSS (0.46) | ALDH1A1CTSSCTSKADORA2AADORA1 | |
| SCHEMBL11092275 | 0.73 | ADORA2A (0.49) | ALDH1A1ADORA2AADORA1PDE10ACYP2C9 | |
| SCHEMBL11085923 | 0.67 | CTSS (0.47) | ALDH1A1CTSSCTSKADORA2AADORA1 | |
| SCHEMBL11090104 | 0.67 | ADORA1 (0.59) | ALDH1A1ADORA2AADORA1ADORA2BKDM4E | |
| SCHEMBL11087459 | 0.67 | MYC (0.45) | ALDH1A1CTSSCTSKADORA2AADORA1 | |
| SCHEMBL20255673 | 0.67 | SHMT1 (0.80) | ALDH1A1SHMT1SHMT2KDM4ESMN1; SMN2 | |
| SCHEMBL11090451 | 0.66 | MAP4K4 (0.48) | ALDH1A1ADORA2AADORA1ADORA2BKDM4E |
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-4460403-A | 2,3-Dicyano 6 phenyl pyrazine herbicides | KYOWA GAS CHEMICAL INDUSTRY CO., LTD. (JP) | 1984-07-17 | — | — | US | disclosed |
| US-4259489-A | PREEMERGENCE AND POSTEMERGENCE HERBICIDES | KYOWA GAS CHEMICAL INDUSTRY CO. LTD. (JP) | 1981-03-31 | — | — | US | disclosed |