Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.66 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.53 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.53 |
| ▸ | IDO1 | P14902 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.51 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.50 |
| ▸ | PNMT | P11086 | 2/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8987672 | 0.91 | L3MBTL1 (0.65) | CYP1A2CYP2D6CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL23583427 | 0.90 | CYP1A2 (0.57) | CYP1A2CYP2D6CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL7263108 | 0.88 | SIGMAR1 (0.71) | CYP1A2CYP2D6CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL18768914 | 0.88 | CYP1A2 (0.58) | CYP1A2CYP2D6CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL4024603 | 0.88 | CYP1A2 (0.58) | CYP1A2CYP2D6CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL9618249 | 0.86 | CYP1A2 (0.61) | CYP1A2CYP2D6CYP2C9CYP2C19SIGMAR1 | |
| Hydrochloric Acid SCHEMBL11366499 | 0.86 | CYP1A2 (0.61) | CYP1A2CYP2D6CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL7805116 | 0.85 | SIGMAR1 (0.62) | CYP1A2CYP2D6CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL14058901 | 0.85 | SMN1; SMN2 (0.59) | CYP1A2CYP2D6CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL7805399 | 0.85 | POLB (0.55) | CYP1A2CYP2D6CYP2C9CYP2C19SIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4448776-A | Method of using certain substituted aliphatic secondary amines or their salts for easing breathing | BUCHER KARL (CH) | 1984-05-15 | — | — | US | claimed |