Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | VNN1 | O95497 | 1/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.34 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.34 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.34 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 SCHEMBL8862707 | 0.98 | CYP1A2 (0.43) | CYP1A2CTDSP1SIGMAR1CYP2C9CYP3A4 | |
| SCHEMBL22457837 | 0.81 | GRIN2D (0.54) | CYP1A2SIGMAR1CYP2D6CYP2C19GRIN2D | |
| SCHEMBL9368319 | 0.75 | PDE4A (0.41) | CYP1A2SIGMAR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL6813229 | 0.75 | GAA (0.42) | CYP1A2SIGMAR1CYP2C9CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL8862706 | 0.74 | PDE4A (0.40) | CYP1A2SIGMAR1CYP2C9CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL6814523 | 0.74 | GAA (0.41) | CYP1A2SIGMAR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL5819528 | 0.73 | SIGMAR1 (0.60) | CYP1A2SIGMAR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL4355200 | 0.73 | SIGMAR1 (0.60) | CYP1A2SIGMAR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL8862816 | 0.72 | GRIN2D (0.64) | CYP1A2CTDSP1VNN1GRIN2DGRIN3B | |
| Hydrochloric Acid SCHEMBL31086290 | 0.72 | SIGMAR1 (0.58) | CYP1A2SIGMAR1CYP2C9CYP3A4CYP2D6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0540318-A1 | 2-Heterocyclicethylamine derivatives and their use as pharmaceuticals | FISONS CORPORATION (US) | 1993-05-05 | — | — | EP | claimed |