Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | HTR1A | P08908 | 2/20 | 0.52 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 2/20 | 0.48 |
| ▸ | DRD3 | P35462 | 2/20 | 0.48 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.48 |
| ▸ | HTR3B | O95264 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HTR3A | P46098 | 1/20 | 0.48 |
| ▸ | HTR6 | P50406 | 1/20 | 0.48 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.48 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.48 |
| ▸ | DRD4 | P21917 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL8435106 | 0.96 | TSHR (0.51) | TSHRHTR1AADRB1HSD17B10GAA | |
| SCHEMBL5534929 | 0.92 | TSHR (0.53) | TSHRHTR1AADRB1HSD17B10GAA | |
| SCHEMBL5864197 | 0.89 | ADRB1 (0.54) | TSHRHTR1AADRB1MAPTALDH1A1 | |
| SCHEMBL28965465 | 0.87 | TSHR (0.61) | TSHRHTR1AHSD17B10GAASMN1; SMN2 | |
| SCHEMBL28353455 | 0.87 | TSHR (0.61) | TSHRHTR1AHSD17B10GAASMN1; SMN2 | |
| SCHEMBL20930918 | 0.84 | HTR6 (0.58) | TSHRHTR1AHSD17B10MAPTALDH1A1 | |
| SCHEMBL112024 | 0.84 | ADRB1 (0.55) | HTR1AADRB1SMN1; SMN2MAPTDRD2 | |
| SCHEMBL30872535 | 0.83 | ALDH1A1 (0.57) | TSHRHTR1AMAPK1ALDH1A1HTR6 | |
| SCHEMBL6609202 | 0.83 | GAA (0.59) | TSHRHTR1AHSD17B10GAAMAPT | |
| SCHEMBL8219392 | 0.81 | ADRB1 (0.49) | HTR1AADRB1MAPTDRD2DRD3 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108290896-B | 2-phenyl-3, 4-dihydropyrrolo [2,1-F ] [1,2,4] triazinone derivatives and uses thereof | 托帕杜制药公司 | 2021-09-28 | — | — | CN | disclosed |
| EP-3708169-A1 | 2,3-DIHYDROBENZO[B][1,4]DIOXINE-6-SULFONAMIDE DERIVATIVES HAVING AN ANTICANCER ACTIVITY | Agios Pharmaceuticals, Inc. (US) | 2020-09-16 | — | — | EP | disclosed |
| US-7160886-B2 | Acylated piperazine derivatives as melanocortin-4 receptor agonists | MERCK & CO., INC. (US) | 2007-01-09 | — | — | US | disclosed |
| US-7160886-B2 | Acylated piperazine derivatives as melanocortin-4 receptor agonists | MERCK & CO., INC. (US) | 2007-01-09 | — | — | US | disclosed |
| US-6884868-B1 | Cyclic hexapeptides having antibiotic activity | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2005-04-26 | — | — | US | disclosed |
| EP-1173472-A1 | CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-01-23 | — | — | EP | disclosed |
| US-6277872-B1 | ANTIISCHEMIC AGENTS; BRAIN DISORDERS | BOEHRINGER INGELHEIM KG (DE) | 2001-08-21 | — | — | US | disclosed |
| WO-2000064927-A1 | CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2000-11-02 | — | — | WO | disclosed |