Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTRB1 | P17538 | 4/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | SRR | Q9GZT4 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | LAP3 | P28838 | 1/20 | 0.39 |
| ▸ | ALPI | P09923 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | XIAP | P98170 | 1/20 | 0.39 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.39 |
| ▸ | HPGDS | O60760 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL7415557 | 0.88 | CTRB1 (0.45) | CTRB1NPC1RAB9ASRRMAPK1 | |
| SCHEMBL2721341 | 0.88 | CTRB1 (0.45) | CTRB1NPC1RAB9ASRRMAPK1 | |
| SCHEMBL7789794 | 0.81 | EPHX1 (0.44) | CTRB1EPHX1ABCB1NPC1RAB9A | |
| SCHEMBL27343484 | 0.80 | ALDH1A1 (0.44) | CTRB1MAPK1ALDH1A1 | |
| SCHEMBL27343486 | 0.80 | ALDH1A1 (0.44) | CTRB1MAPK1ALDH1A1 | |
| SCHEMBL5399979 | 0.80 | ALDH1A1 (0.48) | RAB9AALDH1A1MAPT | |
| SCHEMBL4528518 | 0.78 | CTSS (0.39) | EPHX1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL2730442 | 0.76 | ALDH1A1 (0.40) | CTRB1ABCB1MEN1KMT2APKM | |
| SCHEMBL7638543 | 0.76 | ALDH1A1 (0.43) | CTRB1RAB9AKMT2AALDH1A1MAPT | |
| SCHEMBL7269259 | 0.76 | EPHX1 (0.47) | CTRB1EPHX1ABCB1SRRMAPK1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3113780-A1 | HIV PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2017-01-11 | — | — | EP | claimed |
| WO-2015134366-A1 | HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-09-11 | — | — | WO | claimed |
| EP-2895482-A1 | HIV PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2015-07-22 | — | — | EP | disclosed |
| WO-2014043019-A1 | HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-03-20 | — | — | WO | disclosed |
| EP-2632895-A1 | HIV PROTEASE INHIBITORS | Merck Canada Inc. (CA) | 2013-09-04 | — | — | EP | disclosed |
| WO-2012055031-A1 | HIV PROTEASE INHIBITORS | MERCK CANADA INC. (CA) | 2012-05-03 | — | — | WO | disclosed |