Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FEN1 | P39748 | 1/20 | 0.50 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.39 |
| ▸ | GNRHR | P30968 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KLKB1 | P03952 | 4/20 | 0.36 |
| ▸ | KLK1 | P06870 | 4/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RIPK3 | Q9Y572 | 1/20 | 0.35 |
| ▸ | ECE1 | P42892 | 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 | |
|---|---|---|---|---|
| SCHEMBL2306409 | 0.82 | GRIN1 (0.36) | AKR1B1MEN1KMT2A | |
| SCHEMBL14828565 | 0.81 | PTGDR2 (0.42) | GNRHRMEN1KMT2AALDH1A1MAPT | |
| SCHEMBL2357888 | 0.80 | GRIN1 (0.38) | AKR1B1MEN1KMT2AALDH1A1TSHR | |
| SCHEMBL3346327 | 0.80 | MAPT (0.43) | FEN1MEN1KMT2AALDH1A1TSHR | |
| SCHEMBL14828544 | 0.79 | MAPT (0.37) | FEN1AKR1B1MEN1KMT2ATSHR | |
| SCHEMBL14828532 | 0.79 | GLP1R (0.35) | AKR1B1MEN1KMT2ATSHR | |
| SCHEMBL2309555 | 0.79 | FEN1 (0.48) | FEN1SCN9AALDH1A1MAPT | |
| SCHEMBL14828568 | 0.79 | CYP1B1 (0.39) | FEN1AKR1B1SCN9AGNRHRTSHR | |
| SCHEMBL2313634 | 0.79 | GNRHR (0.37) | FEN1AKR1B1SCN9AGNRHRMEN1 | |
| SCHEMBL14828515 | 0.79 | FEN1 (0.36) | FEN1AKR1B1MEN1KMT2AALDH1A1 |
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 |