Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ICMT | O60725 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | USP2 | O75604 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 4/20 | 0.34 |
| ▸ | HTR1D | P28221 | 4/20 | 0.34 |
| ▸ | HTR1B | P28222 | 2/20 | 0.34 |
| ▸ | CDK4 | P11802 | 2/20 | 0.34 |
| ▸ | CCND1 | P24385 | 2/20 | 0.34 |
| ▸ | MMP2 | P08253 | 2/20 | 0.34 |
| ▸ | MMP9 | P14780 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL7307842 | 0.84 | PTGDR (0.43) | CYP2C19CYP2C9HTR6PTGDRPTGDR2 | |
| Trifluoroacetic Acid SCHEMBL7313830 | 0.80 | PTGDR (0.45) | LMNASMN1; SMN2HTR6PTGDRPTGDR2 | |
| Trifluoroacetic Acid SCHEMBL7307520 | 0.72 | PTGDR2 (0.38) | ICMTHTR6PTGDRPTGDR2 | |
| Trifluoroacetic Acid SCHEMBL7305404 | 0.69 | MPO (0.47) | ICMTHTR1AHTR1DHTR1BHTR7 | |
| Trifluoroacetic Acid SCHEMBL7589346 | 0.66 | LTA4H (0.40) | CYP1A2CYP2C19CYP2C9HTR1AHTR1D | |
| SCHEMBL7318324 | 0.66 | HTR1A (0.78) | CYP1A2CYP2D6CYP2C9HTR1AHTR1D | |
| SCHEMBL7325860 | 0.65 | LTA4H (0.59) | CYP1A2CYP3A4CYP2D6CYP2C9HTR1A | |
| Hydrochloric Acid SCHEMBL7312565 | 0.64 | LTA4H (0.61) | CYP1A2CYP3A4CYP2D6CYP2C9HTR1A | |
| 5-Methoxytryptamine SCHEMBL31454739 | 0.63 | TRPM8 (0.74) | CYP1A2CYP2D6CYP2C19CYP2C9HTR1A | |
| Trifluoroacetic Acid SCHEMBL7399632 | 0.62 | MTNR1A (0.36) | LMNAMMP2MMP9SMN1; SMN2 |
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-20020004198-A1 | Novel anti-infectives | SMITHKLINE BEECHAM CORPORATION | 2002-01-10 | — | — | US | disclosed |