Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 4/20 | 0.49 |
| ▸ | DHODH | Q02127 | 1/20 | 0.45 |
| ▸ | MDM2 | Q00987 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.42 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
| ▸ | DCLRE1B | Q9H816 | 1/20 | 0.41 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5099569 | 0.71 | PIN1 (0.50) | DHODHMDM2PIN1NPC1RAB9A | |
| SCHEMBL10024258 | 0.70 | DCLRE1B (0.57) | DHODHMDM2PIN1DCLRE1BPTGER4 | |
| SCHEMBL1969326 | 0.69 | DHODH (0.51) | DHODHMDM2MAPTPIN1NPC1 | |
| SCHEMBL14152580 | 0.68 | CNR2 (0.61) | DHODHMDM2PIN1PTGER4CNR2 | |
| SCHEMBL28851873 | 0.67 | AKT2 (0.51) | TRPA1MAPTNPC1RAB9AL3MBTL1 | |
| SCHEMBL27456663 | 0.67 | DCLRE1B (0.48) | DHODHMDM2PIN1NPC1RAB9A | |
| SCHEMBL10024224 | 0.67 | DCLRE1B (0.61) | PIN1DCLRE1BPTGER4NOTUM | |
| SCHEMBL6680213 | 0.66 | MEN1 (0.69) | MAPTL3MBTL1ATM | |
| SCHEMBL15720499 | 0.66 | TRPA1 (1.00) | TRPA1MAPTNR1H4 | |
| SCHEMBL6495169 | 0.66 | CYP1A2 (0.52) | TRPA1NPC1RAB9APSMD14 |
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-3107913-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | VIIV HEALTHCARE (NO.5) LIMITED (GB) | 2016-12-28 | — | — | EP | disclosed |
| WO-2015126765-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-08-27 | — | — | WO | disclosed |