Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP6 | P55212 | 3/20 | 0.61 |
| ▸ | NSD2 | O96028 | 3/20 | 0.61 |
| ▸ | RAD52 | P43351 | 2/20 | 0.61 |
| ▸ | CASP7 | P55210 | 2/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.61 |
| ▸ | CASP1 | P29466 | 2/20 | 0.61 |
| ▸ | THRB | P10828 | 1/20 | 0.61 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.61 |
| ▸ | MAOA | P21397 | 12/20 | 0.54 |
| ▸ | MAOB | P27338 | 12/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.54 |
| ▸ | ESR1 | P03372 | 1/20 | 0.54 |
| ▸ | PGR | P06401 | 1/20 | 0.54 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.54 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.54 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.54 |
| ▸ | HTR1A | P08908 | 1/20 | 0.54 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| Phosphoric Acid SCHEMBL11546710 | 0.95 | CASP6 (0.67) | CASP6NSD2RAD52CASP7KDM4E | |
| SCHEMBL4728309 | 0.91 | MAOA (0.63) | CASP6NSD2RAD52CASP7KDM4E | |
| Primaquine SCHEMBL4333877 | 0.81 | KDM4E (0.91) | CASP6NSD2RAD52CASP7KDM4E | |
| Pyrophosphoric Acid SCHEMBL11546529 | 0.80 | CASP6 (0.86) | CASP6NSD2RAD52CASP7KDM4E | |
| SCHEMBL5086840 | 0.80 | MAOA (0.65) | CASP6NSD2RAD52CASP7KDM4E | |
| Bromide SCHEMBL11546339 | 0.79 | MAOA (0.64) | CASP6NSD2RAD52CASP7KDM4E | |
| Pyrophosphoric Acid SCHEMBL11546310 | 0.79 | MAOA (0.67) | CASP6NSD2RAD52CASP7KDM4E | |
| Phosphoric Acid SCHEMBL11546823 | 0.79 | KDM4E (0.54) | CASP6NSD2RAD52CASP7KDM4E | |
| SCHEMBL14424686 | 0.77 | NSD2 (0.54) | CASP6NSD2RAD52CASP7KDM4E | |
| Primaquine SCHEMBL41097 | 0.76 | KDM4E (1.00) | CASP6NSD2RAD52CASP7KDM4E |
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-4167638-A | Process for production of 8-NHR quinolines | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1979-09-11 | — | — | US | disclosed |