Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.67 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.67 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL1734204 | 0.97 | CYP1A2 (0.67) | CYP1A2CYP2D6CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL10648914 | 0.93 | CYP1A2 (0.74) | CYP1A2CYP2D6CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL10553079 | 0.89 | CYP2D6 (0.57) | CYP1A2CYP2D6CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL10551995 | 0.87 | DRD2 (0.55) | CYP1A2CYP2D6CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL15498206 | 0.86 | CYP1A2 (0.64) | CYP1A2CYP2D6CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL3724067 | 0.84 | SIGMAR1 (0.61) | CYP1A2CYP2D6CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL374443 | 0.84 | CYP1A2 (0.85) | CYP1A2CYP2D6CYP2C9CYP2C19TSHR | |
| SCHEMBL4269263 | 0.83 | TSHR (0.61) | CYP1A2CYP2D6CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL680656 | 0.82 | TSHR (0.62) | CYP1A2CYP2D6CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL10650588 | 0.82 | CYP1A2 (0.53) | CYP1A2CYP2D6CYP2C9CYP2C19KCNH2 |
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-4752621-A | Arylalkyl amines useful for lowering intraocular pressure | SYNTEX (U.S.A.) INC. (US) | 1988-06-21 | — | — | US | disclosed |
| US-4642378-A | Arylalkyl amines useful for lowering intraocular pressure | SYNTEX (U.S.A.) INC. (US) | 1987-02-10 | — | — | US | disclosed |