Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPRT1 | P00492 | 4/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 4/20 | 0.42 |
| ▸ | HTR1D | P28221 | 4/20 | 0.42 |
| ▸ | HTR1B | P28222 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL30290794 | 0.97 | CA1 (0.46) | HPRT1CA1CA2CA9HTR1A | |
| SCHEMBL18133363 | 0.90 | HTR1A (0.44) | HPRT1CA1CA2CA9HTR1A | |
| SCHEMBL2810467 | 0.89 | HTR1D (0.47) | CA1CA2CA9HTR1AHTR1D | |
| SCHEMBL1702438 | 0.89 | HTR1D (0.47) | CA1CA2CA9HTR1AHTR1D | |
| SCHEMBL29511664 | 0.89 | HTR1D (0.47) | CA1CA2CA9HTR1AHTR1D | |
| SCHEMBL17548705 | 0.89 | HTR1D (0.47) | CA1CA2CA9HTR1AHTR1D | |
| SCHEMBL10023272 | 0.89 | HTR1D (0.47) | CA1CA2CA9HTR1AHTR1D | |
| SCHEMBL5335841 | 0.86 | HSD11B1 (0.43) | CA1CA2CA9HTR1AHTR1D | |
| SCHEMBL23406376 | 0.84 | HTR1D (0.44) | CA1CA2CA9HTR1AHTR1D | |
| SCHEMBL13070399 | 0.84 | HTR1D (0.44) | CA1CA2CA9HTR1AHTR1D |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2670765-B1 | C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY | VIIV HEALTHCARE UK (NO 4) LTD (GB) | 2017-10-18 | — | — | EP | disclosed |
| EP-2814834-B1 | C-3 CYCLOALKENYL TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY | VIIV HEALTHCARE UK (NO 5) LTD (GB) | 2017-09-13 | — | — | EP | disclosed |
| EP-2958930-A1 | C-3 ALKYL AND ALKENYL MODIFIED BETULINIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF HIV | Bristol-Myers Squibb Company (US) | 2015-12-30 | — | — | EP | disclosed |
| EP-2814834-A1 | C-3 CYCLOALKENYL TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY | Bristol-Myers Squibb Company (US) | 2014-12-24 | — | — | EP | disclosed |
| WO-2014130810-A1 | C-3 ALKYL AND ALKENYL MODIFIED BETULINIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF HIV | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-08-28 | — | — | WO | disclosed |
| EP-2670765-A1 | C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY | Bristol-Myers Squibb Company (US) | 2013-12-11 | — | — | EP | disclosed |
| WO-2013123019-A1 | C-3 CYCLOALKENYL TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-08-22 | — | — | WO | disclosed |
| WO-2012106190-A1 | C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-08-09 | — | — | WO | disclosed |