Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | RXRA | P19793 | 1/20 | 0.36 |
| ▸ | RXRB | P28702 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | FABP7 | O15540 | 1/20 | 0.35 |
| ▸ | FABP3 | P05413 | 1/20 | 0.35 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.35 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.35 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.35 |
| ▸ | CYP2A7 | P20853 | 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 | |
|---|---|---|---|---|
| SCHEMBL6377583 | 0.68 | MMP13 (0.51) | — | |
| SCHEMBL27503700 | 0.68 | MAOA (0.44) | RXRARXRBEPHX1CYP1A1CYP1A2 | |
| SCHEMBL458391 | 0.68 | CYP1A1 (0.64) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL29740761 | 0.68 | CYP1A1 (0.64) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL27985910 | 0.67 | CA4 (0.36) | HTR1ACYP1A2 | |
| SCHEMBL16361075 | 0.67 | LTA4H (0.55) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| Hydrochloric Acid SCHEMBL4062895 | 0.66 | MAOA (0.43) | RXRARXRBCYP1A1CYP1A2CYP2E1 | |
| SCHEMBL13247865 | 0.66 | ABL1 (0.64) | HTR1ACYP1A1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL11409557 | 0.65 | LTA4H (0.52) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL4536542 | 0.65 | LTA4H (0.60) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1871759-A1 | BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF | Wyeth a Corporation of the State of Delaware (US) | 2008-01-02 | — | — | EP | disclosed |
| WO-2006116158-A1 | BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF | WYETH (US) | 2006-11-02 | — | — | WO | disclosed |