Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGDS | O60760 | 4/20 | 0.53 |
| ▸ | MME | P08473 | 7/20 | 0.51 |
| ▸ | ACE | P12821 | 6/20 | 0.51 |
| ▸ | ACE2 | Q9BYF1 | 6/20 | 0.51 |
| ▸ | CPA1 | P15085 | 5/20 | 0.51 |
| ▸ | CTSS | P25774 | 1/20 | 0.51 |
| ▸ | CTSK | P43235 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.50 |
| ▸ | SRR | Q9GZT4 | 2/20 | 0.50 |
| ▸ | PSAT1 | Q9Y617 | 2/20 | 0.50 |
| ▸ | MMP1 | P03956 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL3616167 | 0.92 | MMP1 (0.55) | HPGDSCTSSCTSKMMP1 | |
| SCHEMBL3616169 | 0.92 | MMP1 (0.55) | HPGDSCTSSCTSKMMP1 | |
| SCHEMBL2720880 | 0.88 | MME (0.65) | MMEACEACE2CPA1 | |
| SCHEMBL19888359 | 0.88 | MME (0.65) | MMEACEACE2CPA1 | |
| SCHEMBL17065417 | 0.87 | ITGA4 (0.44) | HPGDSMMECTSSCTSK | |
| SCHEMBL24438783 | 0.86 | CTSS (0.69) | MMEACEACE2CTSSCTSK | |
| SCHEMBL13821431 | 0.86 | CTSS (0.69) | MMEACEACE2CTSSCTSK | |
| SCHEMBL8182259 | 0.86 | CTSS (0.69) | MMEACEACE2CTSSCTSK | |
| SCHEMBL2720887 | 0.85 | MME (0.61) | MMEACEACE2CPA1 | |
| SCHEMBL4348297 | 0.84 | HPGDS (0.58) | HPGDSMMEACEACE2CPA1 |
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 |
| EP-3083609-A1 | HIV PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2016-10-26 | — | — | EP | claimed |
| WO-2015134366-A1 | HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-09-11 | — | — | WO | claimed |
| WO-2015095265-A1 | HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-06-25 | — | — | WO | claimed |
| EP-3083609-A1 | HIV PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2016-10-26 | — | — | EP | disclosed |
| WO-2015095265-A1 | HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-06-25 | — | — | WO | disclosed |