Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ERN1 | O75460 | 1/20 | 0.47 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.45 |
| ▸ | IAPP | P10997 | 4/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL25255953 | 0.78 | ALOX5 (0.51) | ERN1IAPPGAAPOLBKDM4E | |
| SCHEMBL8669956 | 0.77 | ERN1 (0.55) | ERN1NOX4IAPPGAAPOLB | |
| SCHEMBL25253214 | 0.76 | ALOX5 (0.50) | IAPPGAAPOLBRAB9AKDM4E | |
| SCHEMBL7328215 | 0.75 | KDM4E (0.51) | TSHRCYP2C19GAAPOLBRAB9A | |
| SCHEMBL7328223 | 0.75 | KDM4E (0.51) | TSHRCYP2C19GAAPOLBRAB9A | |
| SCHEMBL9049685 | 0.75 | TSHR (0.50) | TSHRCYP2C19GAAKDM4EALDH1A1 | |
| SCHEMBL9049678 | 0.75 | TSHR (0.50) | TSHRCYP2C19GAAKDM4EALDH1A1 | |
| SCHEMBL1563517 | 0.74 | ERN1 (0.57) | ERN1NOX4IAPPGAAPOLB | |
| SCHEMBL691674 | 0.74 | ERN1 (0.57) | ERN1NOX4IAPPGAAPOLB | |
| Pyrogallol SCHEMBL9215733 | 0.73 | CA1 (0.60) | ERN1NOX4IAPPKDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1063888-A1 | NOVEL HIV INTEGRASE INHIBITORS AND HIV THERAPY BASED ON DRUG COMBINATIONS INCLUDING INTEGRASE INHIBITORS | The Regents of the University of California (US) | 2001-01-03 | — | — | EP | claimed |
| WO-1999048371-A1 | NOVEL HIV INTEGRASE INHIBITORS AND HIV THERAPY BASED ON DRUG COMBINATIONS INCLUDING INTEGRASE INHIBITORS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1999-09-30 | — | — | WO | claimed |