Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGER1 | P34995 | 15/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3847522 | 0.89 | PTGER1 (0.45) | PTGER1KMT2ALMNACYP1A2CYP3A4 | |
| SCHEMBL3854465 | 0.86 | PTGER1 (0.46) | PTGER1 | |
| SCHEMBL3856743 | 0.84 | PTGER1 (0.46) | PTGER1KMT2ATP53LMNATSHR | |
| SCHEMBL4795243 | 0.79 | PTGER1 (0.70) | PTGER1 | |
| SCHEMBL3186192 | 0.79 | PTGER1 (0.48) | PTGER1 | |
| SCHEMBL3180838 | 0.77 | PTGER1 (0.61) | PTGER1KMT2ACYP3A4 | |
| Hydrochloric Acid SCHEMBL3187915 | 0.76 | PTGER1 (0.61) | PTGER1CYP3A4 | |
| SCHEMBL3847525 | 0.75 | PTGER1 (0.48) | PTGER1 | |
| SCHEMBL3176032 | 0.71 | PTGER1 (0.67) | PTGER1LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3179276 | 0.71 | PTGER1 (0.65) | PTGER1TP53LMNACYP1A2CYP3A4 |
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-2106398-A2 | ISOQUINOLINECARBOXAMIDES AS INHIBITORS OF STEAROYL-COA DESATURASE (SCD) | SmithKline Beecham Corporation (US) | 2009-10-07 | — | — | EP | disclosed |
| WO-2008074832-A2 | ISOQUINOLINECARBOXAMIDES AS INHIBITORS OF STEAROYL-COA DESATURASE ( SCD) | SMITHKLINE BEECHAM CORPORATION (US) | 2008-06-26 | — | — | WO | disclosed |