Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.43 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.43 |
| ▸ | LPAR3 | Q9UBY5 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 8/20 | 0.37 |
| ▸ | CES1 | P23141 | 5/20 | 0.36 |
| ▸ | FDPS | P14324 | 5/20 | 0.36 |
| ▸ | GGPS1 | O95749 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27435012 | 0.97 | CES2 (0.41) | CES2LPAR1LPAR3TSHRTHRB | |
| Hydrochloric Acid SCHEMBL27437749 | 0.97 | CES2 (0.41) | CES2LPAR1LPAR3TSHRTHRB | |
| SCHEMBL19982927 | 0.97 | CES2 (0.46) | CES2LPAR1LPAR3TSHRTHRB | |
| SCHEMBL11867732 | 0.91 | TSHR (0.35) | CES2LPAR1LPAR3TSHRTHRB | |
| SCHEMBL16171314 | 0.91 | CES2 (0.50) | CES2LPAR1LPAR3TSHRTHRB | |
| SCHEMBL23139281 | 0.91 | CES2 (0.50) | CES2LPAR1LPAR3TSHRTHRB | |
| SCHEMBL28301994 | 0.91 | CES2 (0.50) | CES2LPAR1LPAR3TSHRTHRB | |
| SCHEMBL29691910 | 0.85 | CES2 (0.44) | CES2LPAR1LPAR3TSHRTHRB | |
| SCHEMBL11685471 | 0.84 | TSHR (0.40) | CES2LPAR1LPAR3TSHRTHRB | |
| SCHEMBL8367425 | 0.84 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1121410-C | Process for preparation of N-methyl-D-phenylalanyl-N-[1-[3-[(aminoiminomethyl)-amino] propyl]-3,3-difluoro-2-oxohexyl]-L-prolinamide | AVENTIS MEDICINE CO (US) | 2003-09-17 | — | — | CN | claimed |
| EP-1012165-A1 | PROCESS FOR THE PREPARATION OF N-METHYL-D-PHENYLALANYL-N- 1- 3- (AMINOIMINOMETHYL)AMINO]PROPYL]-3,3-DIFLUORO-2-OXOHEXYL]-L-PROLINAMIDE | Aventis Pharmaceuticals Inc. (US) | 2000-06-28 | — | — | EP | claimed |
| CN-1214691-A | Process for preparation of N-methyl-D-phenylalanyl-N-[1-[3-[(aminoiminomethyl)-amino] propyl]-3,3-difluoro-2-oxohexyl]-L-prolinamide | HOECHST MARION ROUSSEL INC (US) | 1999-04-21 | — | — | CN | claimed |
| WO-1997035874-A1 | PROCESS FOR THE PREPARATION OF N-METHYL-D-PHENYLALANYL-N-[1-[3-[(AMINOIMINOMETHYL)AMINO]PROPYL]-3,3-DIFLUORO-2-OXOHEXYL]-L-PROLINAMIDE | HOECHST MARION ROUSSEL, INC. (US) | 1997-10-02 | — | — | WO | claimed |
| EP-3159345-A1 | INHIBITORS OF HEPATITIS C VIRUS | Gilead Sciences, Inc. (US) | 2017-04-26 | — | — | EP | disclosed |
| CN-1121410-C | Process for preparation of N-methyl-D-phenylalanyl-N-[1-[3-[(aminoiminomethyl)-amino] propyl]-3,3-difluoro-2-oxohexyl]-L-prolinamide | AVENTIS MEDICINE CO (US) | 2003-09-17 | — | — | CN | disclosed |
| EP-1012165-A1 | PROCESS FOR THE PREPARATION OF N-METHYL-D-PHENYLALANYL-N- 1- 3- (AMINOIMINOMETHYL)AMINO]PROPYL]-3,3-DIFLUORO-2-OXOHEXYL]-L-PROLINAMIDE | Aventis Pharmaceuticals Inc. (US) | 2000-06-28 | — | — | EP | disclosed |
| CN-1214691-A | Process for preparation of N-methyl-D-phenylalanyl-N-[1-[3-[(aminoiminomethyl)-amino] propyl]-3,3-difluoro-2-oxohexyl]-L-prolinamide | HOECHST MARION ROUSSEL INC (US) | 1999-04-21 | — | — | CN | disclosed |
| WO-1997035874-A1 | PROCESS FOR THE PREPARATION OF N-METHYL-D-PHENYLALANYL-N-[1-[3-[(AMINOIMINOMETHYL)AMINO]PROPYL]-3,3-DIFLUORO-2-OXOHEXYL]-L-PROLINAMIDE | HOECHST MARION ROUSSEL, INC. (US) | 1997-10-02 | — | — | WO | disclosed |