Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 4/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.61 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.61 |
| ▸ | DRD2 | P14416 | 3/20 | 0.61 |
| ▸ | MEN1 | O00255 | 2/20 | 0.61 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.61 |
| ▸ | LMNA | P02545 | 2/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.61 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.61 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.61 |
| ▸ | HTR2A | P28223 | 2/20 | 0.61 |
| ▸ | HTR2C | P28335 | 2/20 | 0.61 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.61 |
| ▸ | HRH1 | P35367 | 2/20 | 0.61 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.61 |
| ▸ | DRD3 | P35462 | 2/20 | 0.61 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.61 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.61 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL11201943 | 0.91 | P2RX7 (0.60) | P2RX7CYP1A2CYP2D6ADRA1ADRD2 | |
| SCHEMBL11201875 | 0.90 | P2RX7 (0.77) | P2RX7CYP1A2CYP2D6ADRA1ADRD2 | |
| SCHEMBL1152607 | 0.85 | P2RX7 (0.83) | P2RX7CYP1A2CYP2D6ADRA1ADRD2 | |
| SCHEMBL11197906 | 0.85 | P2RX7 (0.64) | P2RX7CYP1A2CYP2D6ADRA1ADRD2 | |
| SCHEMBL1153001 | 0.84 | P2RX7 (0.88) | P2RX7CYP1A2CYP2D6ADRA1ADRD2 | |
| SCHEMBL1152704 | 0.83 | P2RX7 (0.83) | P2RX7CYP1A2CYP2D6ADRA1ADRD2 | |
| SCHEMBL11192067 | 0.83 | P2RX7 (0.76) | P2RX7CYP1A2CYP2D6ADRA1ADRD2 | |
| SCHEMBL11201448 | 0.83 | P2RX7 (0.83) | P2RX7CYP1A2CYP2D6ADRA1ADRD2 | |
| SCHEMBL1152747 | 0.82 | P2RX7 (0.84) | P2RX7CYP1A2CYP2D6ADRA1ADRD2 | |
| Hydrochloric Acid SCHEMBL11205596 | 0.82 | P2RX7 (0.82) | P2RX7CYP1A2CYP2D6ADRA1ADRD2 |
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-4377578-A | ANTIANAPHYLACTIC AGENTS, ANTIHISTAMINES | JANSSEN PHARMACEUTICA, N.V. (BE) | 1983-03-22 | — | — | US | disclosed |
| US-4250176-A | BENZIMIDAZOLE-2-ONE, BENZOTHIAZOL-2-ONE, OR BENZOXAZOL-2-ONE SUBSTITUTIONS, ANTIANAPHALACTIC AGENTS, ANTIHISTAMINES | JANSSEN PHARMACEUTICA N.V. (BE) | 1981-02-10 | — | — | US | disclosed |
| US-4200641-A | ANTIANAPHYLACTIC AGENTS, ANTIHISTAMINES | JANSSEN PHARMACEUTICA, N.V. (BE) | 1980-04-29 | — | — | US | disclosed |