Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.66 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.66 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.66 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.66 |
| ▸ | PTGIR | P43119 | 2/20 | 0.66 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.66 |
| ▸ | PTGDR | Q13258 | 2/20 | 0.66 |
| ▸ | DRD1 | P21728 | 1/20 | 0.66 |
| ▸ | CKS1B | P61024 | 4/20 | 0.59 |
| ▸ | SKP1 | P63208 | 4/20 | 0.59 |
| ▸ | SKP2 | Q13309 | 4/20 | 0.59 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.59 |
| ▸ | HTR1A | P08908 | 1/20 | 0.59 |
| ▸ | CNR1 | P21554 | 1/20 | 0.59 |
| ▸ | HTR2A | P28223 | 1/20 | 0.59 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.59 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.59 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.59 |
| ▸ | HTR2B | P41595 | 1/20 | 0.59 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL21014626 | 0.88 | ADORA3 (0.80) | ADORA3NR1I2TBXA2RAGTR1PTGIR | |
| SCHEMBL18614888 | 0.87 | PTGIR (0.74) | ADORA3NR1I2TBXA2RAGTR1PTGIR | |
| SCHEMBL5218595 | 0.83 | CKS1B (0.54) | ADORA3NR1I2TBXA2RAGTR1PTGIR | |
| SCHEMBL5213530 | 0.83 | CKS1B (0.54) | ADORA3NR1I2TBXA2RAGTR1PTGIR | |
| SCHEMBL29068587 | 0.83 | NR1I2 (0.75) | ADORA3NR1I2TBXA2RAGTR1PTGIR | |
| SCHEMBL18630465 | 0.82 | NR1I2 (0.66) | ADORA3NR1I2TBXA2RAGTR1PTGIR | |
| SCHEMBL28690981 | 0.82 | NR1I2 (0.66) | ADORA3NR1I2TBXA2RAGTR1PTGIR | |
| SCHEMBL18584837 | 0.81 | NR1I2 (0.66) | ADORA3NR1I2TBXA2RAGTR1PTGIR | |
| SCHEMBL19820820 | 0.81 | NR1I2 (0.68) | ADORA3NR1I2TBXA2RAGTR1PTGIR | |
| Acetic Acid SCHEMBL29068588 | 0.80 | NR1I2 (0.71) | ADORA3NR1I2TBXA2RAGTR1PTGIR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017042828-A2 | PROCESS FOR THE PREPARATION OF SELEXIPAG AND INTERMEDIATES THEREOF | MEGAFINE PHARMA (P) LTD. (IN) | 2017-03-16 | — | — | WO | disclosed |
| WO-2017042828-A2 | PROCESS FOR THE PREPARATION OF SELEXIPAG AND INTERMEDIATES THEREOF | MEGAFINE PHARMA (P) LTD. (IN) | 2017-03-16 | — | — | WO | disclosed |