Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
| ▸ | NOS3 | P29474 | 1/20 | 0.46 |
| ▸ | NOS1 | P29475 | 1/20 | 0.46 |
| ▸ | NOS2 | P35228 | 1/20 | 0.46 |
| ▸ | HRH1 | P35367 | 3/20 | 0.45 |
| ▸ | DRD1 | P21728 | 2/20 | 0.45 |
| ▸ | DRD4 | P21917 | 2/20 | 0.45 |
| ▸ | DRD5 | P21918 | 2/20 | 0.45 |
| ▸ | DRD3 | P35462 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8641045 | 0.85 | TDP1 (0.61) | TDP1KDM4ESMN1; SMN2CYP2D6CYP2C19 | |
| SCHEMBL8641048 | 0.73 | LTA4H (0.56) | TDP1KDM4ESMN1; SMN2CYP2D6CYP2C19 | |
| SCHEMBL8637696 | 0.73 | TDP1 (0.52) | TDP1KDM4ESMN1; SMN2CYP2D6CYP2C19 | |
| SCHEMBL7012697 | 0.73 | KDM4E (0.84) | TDP1KDM4ESMN1; SMN2TSHRLTA4H | |
| SCHEMBL30150794 | 0.72 | LTA4H (0.73) | TDP1KDM4ESMN1; SMN2CYP2D6CYP2C19 | |
| SCHEMBL1031593 | 0.72 | LTA4H (0.73) | TDP1KDM4ESMN1; SMN2CYP2D6CYP2C19 | |
| SCHEMBL8264564 | 0.72 | TDP1 (1.00) | TDP1KDM4ESMN1; SMN2CYP2D6CYP2C19 | |
| SCHEMBL14970458 | 0.72 | KDM4E (0.86) | TDP1KDM4ESMN1; SMN2TSHRLTA4H | |
| SCHEMBL8351940 | 0.71 | TDP1 (0.97) | TDP1KDM4ESMN1; SMN2CYP2D6CYP2C19 | |
| SCHEMBL1027777 | 0.71 | LTA4H (0.71) | TDP1KDM4ESMN1; SMN2CYP2D6CYP2C19 |
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-5723492-A | LTA4 hydrolase inhibitor pharmaceutical compositions and methods of use | G.D. SEARLE & CO. (US) | 1998-03-03 | — | — | US | disclosed |
| US-5719306-A | ANTIINFLAMMATORY AGENTS | G.D. SEARLE & CO. (US) | 1998-02-17 | — | — | US | disclosed |