Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 19/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 19/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 18/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.43 |
| ▸ | HPGD | P15428 | 5/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 11/20 | 0.43 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 14/20 | 0.42 |
| ▸ | CASP1 | P29466 | 13/20 | 0.42 |
| ▸ | CASP7 | P55210 | 12/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 11/20 | 0.42 |
| ▸ | USP2 | O75604 | 10/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 8/20 | 0.42 |
| ▸ | TP53 | P04637 | 7/20 | 0.42 |
| ▸ | LMNA | P02545 | 6/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | BLM | P54132 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10428775 | 0.86 | NR4A2 (0.46) | CYP1A2CYP3A4ALDH1A1CYP2D6HPGD | |
| SCHEMBL9564905 | 0.84 | CYP1A2 (0.37) | CYP1A2CYP3A4ALDH1A1CYP2D6HPGD | |
| Bromide SCHEMBL9564796 | 0.82 | NR4A2 (0.54) | CYP1A2CYP3A4ALDH1A1CYP2D6HPGD | |
| SCHEMBL9564789 | 0.82 | NR4A2 (0.42) | CYP1A2CYP3A4ALDH1A1CYP2D6HPGD | |
| Water SCHEMBL9564806 | 0.81 | NR4A2 (0.42) | CYP1A2CYP3A4ALDH1A1CYP2D6HPGD | |
| Water SCHEMBL9564807 | 0.81 | NR4A2 (0.42) | CYP1A2CYP3A4ALDH1A1CYP2D6HPGD | |
| SCHEMBL9564782 | 0.81 | KCNH2 (0.45) | CYP1A2CYP3A4ALDH1A1CYP2D6HSD17B10 | |
| SCHEMBL9564849 | 0.80 | SMN1; SMN2 (0.50) | ALDH1A1CYP2D6HPGDHSD17B10LMNA | |
| SCHEMBL9698816 | 0.80 | KCNH2 (0.65) | HPGDHSD17B10NR4A2KCNH2ALOX15 | |
| SCHEMBL9631535 | 0.80 | MAPT (0.42) | CYP1A2CYP3A4ALDH1A1CYP2D6HPGD |
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 |