Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | HTR6 | P50406 | 5/20 | 0.41 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.38 |
| ▸ | CASP1 | P29466 | 3/20 | 0.38 |
| ▸ | CASP7 | P55210 | 3/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9564830 | 0.85 | SSTR5 (0.43) | KCNH2 | |
| Bromide SCHEMBL9564766 | 0.84 | KCNH2 (0.42) | KCNH2HTR6TLR7CYP3A4CYP2C9 | |
| SCHEMBL9564851 | 0.80 | CYP1A2 (0.54) | KCNH2CYP3A4CYP2C9CASP1CASP7 | |
| SCHEMBL9601946 | 0.76 | HTR7 (0.44) | KCNH2HTR1ADRD2HTR2AHTR7 | |
| Oxalic Acid SCHEMBL9564885 | 0.75 | CYP1A2 (0.51) | KCNH2CYP3A4CYP2C9CASP1CASP7 | |
| Oxalic Acid SCHEMBL9564888 | 0.75 | CYP1A2 (0.51) | KCNH2CYP3A4CYP2C9CASP1CASP7 | |
| SCHEMBL9535735 | 0.74 | TP53 (0.51) | KCNH2NR4A2 | |
| SCHEMBL9564783 | 0.74 | CYP3A4 (0.39) | KCNH2HTR6TLR7CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL9537452 | 0.73 | TP53 (0.50) | KCNH2NR4A2 | |
| SCHEMBL9537829 | 0.73 | KCNH2 (0.58) | KCNH2NR4A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5258380-A | Antiallergens, antihistamines | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-11-02 | — | — | US | disclosed |
| US-5041448-A | Antiallergens | JANSSEN PHARMACEUTICA N.V. (BE) | 1991-08-20 | — | — | US | disclosed |
| EP-0206415-A2 | (4-Piperidinylmethyl and -hetero)purines | JANSSEN PHARMACEUTICA N.V. (BE) | 1986-12-30 | — | — | EP | disclosed |