Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.38 |
| ▸ | HRH1 | P35367 | 2/20 | 0.38 |
| ▸ | STAT3 | P40763 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 2/20 | 0.36 |
| ▸ | CASP7 | P55210 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9564863 | 0.87 | NR4A2 (0.48) | KCNH2 | |
| Bromide SCHEMBL9564766 | 0.86 | KCNH2 (0.42) | CYP3A4ALDH1A1HSD17B10CYP2D6KCNH2 | |
| SCHEMBL9564878 | 0.85 | HRH1 (0.49) | CYP3A4CYP2D6KCNH2CHRM1HRH1 | |
| SCHEMBL9564825 | 0.79 | HTR1A (0.50) | — | |
| SCHEMBL9565008 | 0.78 | DRD2 (0.50) | CYP2D6KCNH2CHRM1HRH1TSHR | |
| SCHEMBL9564927 | 0.78 | P2RX7 (0.44) | CYP3A4GLACYP2D6KCNH2CHRM1 | |
| SCHEMBL9866073 | 0.77 | CCR3 (0.44) | ALDH1A1TSHR | |
| SCHEMBL9564912 | 0.76 | HSD17B10 (0.46) | CYP3A4ALDH1A1HSD17B10CYP1A2TSHR | |
| SCHEMBL9564964 | 0.76 | ALDH1A1 (0.46) | ALDH1A1 | |
| SCHEMBL9564876 | 0.76 | HSD17B10 (0.46) | ALDH1A1HSD17B10TSHRCASP1CASP7 |
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 |