Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TMPRSS2 | O15393 | 2/20 | 0.44 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.40 |
| ▸ | ESR1 | P03372 | 3/20 | 0.40 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19643372 | 0.82 | ESR2 (0.63) | TMEM97SIGMAR1ESR2ESR1S1PR1 | |
| SCHEMBL16634622 | 0.81 | NAMPT (0.49) | TMPRSS2TMEM97SIGMAR1ESR2ESR1 | |
| SCHEMBL19643436 | 0.81 | CYP4F2 (0.47) | TMEM97SIGMAR1ESR2NPC1KMT2A | |
| SCHEMBL19717635 | 0.80 | NPC1 (0.45) | TMPRSS2TMEM97SIGMAR1ESR2ESR1 | |
| SCHEMBL27933360 | 0.78 | NPC1 (0.43) | TMEM97SIGMAR1ESR2ESR1PTPN2 | |
| SCHEMBL1772601 | 0.77 | ESR2 (0.41) | TMPRSS2TMEM97SIGMAR1ESR2ESR1 | |
| SCHEMBL6348602 | 0.76 | RXRB (0.50) | ALDH1A1NPC1RAB9AHPGDTSHR | |
| SCHEMBL27914873 | 0.76 | NAMPT (0.49) | TMEM97SIGMAR1ESR2ESR1HDAC8 | |
| SCHEMBL381428 | 0.75 | NR1H2 (0.56) | TMPRSS2ESR2ESR1HDAC8NPC1 | |
| SCHEMBL22981196 | 0.74 | ESR1 (0.43) | TMEM97SIGMAR1ESR2ESR1HDAC8 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3463362-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS | Merck Sharp & Dohme Corp. (US) | 2019-04-10 | — | — | EP | disclosed |
| WO-2017205193-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2017-11-30 | — | — | WO | disclosed |