Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 6/20 | 0.41 |
| ▸ | TBXAS1 | P24557 | 3/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | GNRHR | P30968 | 1/20 | 0.38 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.38 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.38 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16720943 | 0.74 | MEN1 (0.39) | TAAR1GNRHRTSHRPAX8 | |
| SCHEMBL16718965 | 0.74 | TAAR1 (0.42) | TBXAS1TAAR1GNRHR | |
| SCHEMBL750261 | 0.68 | MEN1 (0.58) | SMN1; SMN2PAX8 | |
| SCHEMBL9417324 | 0.68 | MMP2 (0.65) | SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL533136 | 0.67 | PTGER2 (0.61) | — | |
| Hydrochloric Acid SCHEMBL533772 | 0.67 | PTGER2 (0.61) | — | |
| SCHEMBL8285900 | 0.66 | PTGER2 (0.51) | TBXAS1SMN1; SMN2 | |
| SCHEMBL8895298 | 0.63 | NPSR1 (0.50) | TBXAS1NPSR1TAAR1SMN1; SMN2 | |
| SCHEMBL18725052 | 0.63 | KEAP1 (0.71) | SMN1; SMN2PAX8 | |
| SCHEMBL784028 | 0.63 | SLC1A3 (0.56) | S1PR1SLC1A3SLC1A2SLC1A1TSHR |
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-3068391-A1 | ARYL LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG | Merck Sharp & Dohme Corp. (US) | 2016-09-21 | — | — | EP | claimed |
| WO-2015073308-A1 | ARYL LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG | MERCK SHARP & DOHME CORP. (US) | 2015-05-21 | — | — | WO | claimed |
| WO-2015070366-A1 | ARYL LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG | MERCK SHARP & DOHME CORP. (US) | 2015-05-21 | — | — | WO | claimed |
| EP-3068391-A1 | ARYL LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG | Merck Sharp & Dohme Corp. (US) | 2016-09-21 | — | — | EP | disclosed |
| WO-2015073308-A1 | ARYL LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG | MERCK SHARP & DOHME CORP. (US) | 2015-05-21 | — | — | WO | disclosed |
| WO-2015070366-A1 | ARYL LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG | MERCK SHARP & DOHME CORP. (US) | 2015-05-21 | — | — | WO | disclosed |