Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | MMP8 | P22894 | 1/20 | 0.43 |
| ▸ | ELANE | P08246 | 1/20 | 0.43 |
| ▸ | CTSD | P07339 | 1/20 | 0.42 |
| ▸ | TACR2 | P21452 | 1/20 | 0.42 |
| ▸ | CTSL | P07711 | 1/20 | 0.42 |
| ▸ | CAPN1 | P07384 | 2/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.41 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.41 |
| ▸ | HPGDS | O60760 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2738925 | 0.86 | LMNA (0.41) | POLBKMT2AALDH1A1 | |
| SCHEMBL5565673 | 0.86 | EPHX2 (0.51) | EPHX1ALDH1A1 | |
| SCHEMBL3960093 | 0.80 | SIGMAR1 (0.56) | KMT2AALDH1A1 | |
| SCHEMBL16431556 | 0.77 | KMT2A (0.42) | ELANEEPHX1KMT2AHPGDS | |
| SCHEMBL2076151 | 0.77 | POLB (0.55) | POLBKMT2AALDH1A1 | |
| SCHEMBL2076149 | 0.77 | POLB (0.55) | POLBKMT2AALDH1A1 | |
| SCHEMBL6754303 | 0.76 | MMP8 (0.50) | POLBMMP8ELANETACR2CTSL | |
| SCHEMBL6754301 | 0.76 | MMP8 (0.50) | POLBMMP8ELANETACR2CTSL | |
| SCHEMBL7408631 | 0.76 | CTSS (0.61) | POLBMMP8TACR2CTSLKMT2A | |
| SCHEMBL684223 | 0.76 | CCR2 (0.41) | POLBKMT2AALDH1A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3027593-A2 | PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2016-06-08 | — | — | EP | claimed |
| EP-2895482-A1 | HIV PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2015-07-22 | — | — | EP | claimed |
| WO-2015017393-A2 | PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-02-05 | — | — | WO | claimed |
| WO-2014043019-A1 | HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-03-20 | — | — | WO | claimed |
| EP-2895482-A1 | HIV PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2015-07-22 | — | — | EP | disclosed |
| WO-2015013835-A1 | PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-02-05 | — | — | WO | disclosed |
| WO-2014043019-A1 | HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-03-20 | — | — | WO | disclosed |