Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.58 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.58 |
| ▸ | CASP7 | P55210 | 2/20 | 0.55 |
| ▸ | CASP6 | P55212 | 2/20 | 0.55 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | NSD2 | O96028 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 9/20 | 0.42 |
| ▸ | MAOB | P27338 | 9/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | RAD52 | P43351 | 2/20 | 0.41 |
| ▸ | CASP1 | P29466 | 2/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10944622 | 0.93 | HSP90AA1 (0.56) | HSP90AA1HSP90AB1CASP7CASP6PABPC1 | |
| SCHEMBL10949994 | 0.93 | HSP90AA1 (0.56) | HSP90AA1HSP90AB1CASP7CASP6PABPC1 | |
| SCHEMBL10941487 | 0.92 | HSP90AA1 (0.54) | HSP90AA1HSP90AB1CASP7CASP6PABPC1 | |
| SCHEMBL10942299 | 0.92 | HSP90AA1 (0.54) | HSP90AA1HSP90AB1CASP7CASP6PABPC1 | |
| SCHEMBL10942340 | 0.92 | HSP90AA1 (0.54) | HSP90AA1HSP90AB1CASP7CASP6PABPC1 | |
| Hydrochloric Acid SCHEMBL10945887 | 0.88 | HSP90AA1 (0.53) | HSP90AA1HSP90AB1CASP7CASP6PABPC1 | |
| Hydrochloric Acid SCHEMBL10945897 | 0.88 | HSP90AA1 (0.53) | HSP90AA1HSP90AB1CASP7CASP6PABPC1 | |
| SCHEMBL4726838 | 0.88 | HSP90AA1 (0.52) | HSP90AA1HSP90AB1CASP7CASP6PABPC1 | |
| SCHEMBL11545426 | 0.87 | KDM4E (0.59) | HSP90AA1HSP90AB1CASP7CASP6PABPC1 | |
| SCHEMBL11546682 | 0.86 | HSP90AA1 (0.51) | HSP90AA1HSP90AB1CASP7CASP6PABPC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4554279-A | PLASMODICIDAL | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1985-11-19 | — | — | US | disclosed |
| 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 |