Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DDAH1 | O94760 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2202858 | 1.00 | DDAH1 (0.46) | DDAH1LMNATSHRRAB9ANPC1 | |
| SCHEMBL8248633 | 0.79 | LMNA (0.38) | DDAH1LMNATSHRRAB9ANPC1 | |
| SCHEMBL10761755 | 0.76 | DDAH1 (0.61) | DDAH1LMNATSHRRAB9ANPC1 | |
| SCHEMBL4562346 | 0.73 | DDAH1 (0.59) | DDAH1LMNATSHRRAB9ANPC1 | |
| SCHEMBL4124111 | 0.73 | DDAH1 (0.65) | DDAH1TSHRRAB9ANPC1POLB | |
| SCHEMBL8239269 | 0.71 | RAB9A (0.53) | DDAH1LMNATSHRRAB9ANPC1 | |
| SCHEMBL4619198 | 0.70 | DDAH1 (0.61) | DDAH1RAB9ANPC1POLBPKM | |
| SCHEMBL19651813 | 0.70 | DDAH1 (0.61) | DDAH1TSHRRAB9ANPC1POLB | |
| SCHEMBL23301149 | 0.69 | DDAH1 (0.54) | DDAH1LMNATSHRRAB9ANPC1 | |
| SCHEMBL4963917 | 0.69 | MAPT (0.51) | DDAH1LMNATSHRRAB9ANPC1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9382242-B2 | Preparation and use of compounds as protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-07-05 | — | — | US | disclosed |
| US-20140206715-A1 | PREPARATION AND USE OF COMPOUNDS AS PROTEASE INHIBITORS | PHARMACOPEIA, LLC | 2014-07-24 | — | — | US | disclosed |
| US-8722708-B2 | Substituted isoindolines as aspartyl protease inhibitors | Merck Sharp & Dohme Inc. (US) | 2014-05-13 | — | — | US | disclosed |
| EP-2345411-B1 | Heterocyclic aspartyl protease inhibitors, preparation and use thereof | MERCK SHARP & DOHME (US) | 2013-10-02 | — | — | EP | disclosed |
| EP-2345411-B1 | Heterocyclic aspartyl protease inhibitors, preparation and use thereof | MERCK SHARP & DOHME (US) | 2013-10-02 | — | — | EP | disclosed |
| EP-1896032-B1 | THE PREPARATION AND USE OF COMPOUNDS AS PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2012-10-31 | — | — | EP | disclosed |
| EP-2345411-A1 | Heterocyclic aspartyl protease inhibitors, preparation and use thereof | Schering Corporation (US) | 2011-07-20 | — | — | EP | disclosed |
| EP-2345411-A1 | Heterocyclic aspartyl protease inhibitors, preparation and use thereof | Schering Corporation (US) | 2011-07-20 | — | — | EP | disclosed |
| US-20080176868-A1 | pyrrole/pyrimidine-2-imine fused ring derivatives; aspartyl proteases, beta-secretase inhibitor; cardiovascular diseases, cognitive and neurodegenerative diseases such as Alzheimer's, Human Immunodeficiency Virus, plasmepins, cathepsin D and protozoal enzymes | SCHERING CORPORATION | 2008-07-24 | — | — | US | disclosed |
| EP-1896032-A2 | THE PREPARATION AND USE OF COMPOUNDS AS PROTEASE INHIBITORS | SCHERING CORPORATION (US) | 2008-03-12 | — | — | EP | disclosed |
| WO-2006138265-A2 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS, PREPARATION AND USE THEREOF | SCHERING CORPORATION (US) | 2006-12-28 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20140206715-A1 | PREPARATION AND USE OF COMPOUNDS AS PROTEASE INHIBITORS | CTRL, BACE1, PRSS1 | DDAH1 400/4885LMNA 761/4885TSHR 1034/4885 |
| US-20080176868-A1 | pyrrole/pyrimidine-2-imine fused ring derivatives; aspartyl proteases, beta-secretase inhibitor; cardiovascular diseases, cognitive and neurodegenerative diseases such as Alzheimer's, Human Immunodeficiency Virus, plasmepins, cathepsin D and protozoal enzymes | BACE1, CTSL, CPN1 | DDAH1 499/4885LMNA 818/4885TSHR 3479/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.