Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.59 |
| ▸ | THRB | P10828 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | ABCG2 | Q9UNQ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL18548498 | 1.00 | NR1I2 (0.59) | NR1I2THRBPOLBABCB1ABCG2 | |
| SCHEMBL18548500 | 0.97 | NR1I2 (0.56) | NR1I2THRBPOLBABCB1ABCG2 | |
| SCHEMBL17027387 | 0.94 | NR1I2 (0.56) | NR1I2THRBPOLBABCB1ABCG2 | |
| SCHEMBL17027381 | 0.92 | NR1I2 (0.56) | NR1I2THRBABCB1ABCG2 | |
| SCHEMBL17027382 | 0.91 | NR1I2 (0.49) | NR1I2THRBPOLBABCB1ABCG2 | |
| SCHEMBL17027385 | 0.91 | NR1I2 (0.51) | NR1I2THRBPOLB | |
| SCHEMBL10174792 | 0.89 | NR1I2 (0.65) | NR1I2THRB | |
| SCHEMBL17027388 | 0.88 | NR1I2 (0.47) | NR1I2THRBPOLBABCB1ABCG2 | |
| SCHEMBL12091033 | 0.88 | NR1I2 (0.66) | NR1I2THRB | |
| SCHEMBL12091068 | 0.86 | NR1I2 (0.62) | NR1I2THRB |
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-3152215-A1 | PYRAZOLOPYRIMIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | ViiV Healthcare UK (No.5) Limited (GB) | 2017-04-12 | — | — | EP | disclosed |
| WO-2015126743-A1 | PYRAZOLOPYRIMIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-08-27 | — | — | WO | disclosed |