Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | S1PR3 | Q99500 | 6/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CCR2 | P41597 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 2/20 | 0.39 |
| ▸ | VDR | P11473 | 1/20 | 0.39 |
| ▸ | FABP4 | P15090 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14828565 | 0.84 | PTGDR2 (0.42) | PTGDR2TP53MAPT | |
| SCHEMBL2308886 | 0.84 | MEN1 (0.48) | PTGDR2TP53POLBFABP4 | |
| SCHEMBL14828516 | 0.83 | RORC (0.42) | PTGDR2PPARGMAPT | |
| SCHEMBL14828515 | 0.82 | FEN1 (0.36) | PTGS1PTGS2TP53POLBFABP4 | |
| SCHEMBL2313628 | 0.82 | HTR2A (0.36) | PTGS1PTGS2POLBFABP4 | |
| SCHEMBL14828572 | 0.81 | PTGDR2 (0.47) | PTGDR2 | |
| SCHEMBL14828540 | 0.81 | ERCC5 (0.47) | TP53POLBMAPT | |
| SCHEMBL7914357 | 0.80 | TP53 (0.40) | PTGDR2PTGS1PTGS2S1PR3TP53 | |
| SCHEMBL1367091 | 0.80 | S1PR3 (0.43) | S1PR3 | |
| SCHEMBL2832433 | 0.80 | LMNA (0.38) | POLBMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-8415373-B2 | Isoquinolinone derivatives as NK3 antagonists | H. LUNDBECK A/S (DK) | 2013-04-09 | — | — | US | claimed |
| US-8415373-B2 | Isoquinolinone derivatives as NK3 antagonists | H. LUNDBECK A/S (DK) | 2013-04-09 | — | — | US | disclosed |