Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLKB1 | P03952 | 1/20 | 0.40 |
| ▸ | KLK1 | P06870 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 8/20 | 0.38 |
| ▸ | NPC1 | O15118 | 6/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 8/20 | 0.37 |
| ▸ | LMNA | P02545 | 5/20 | 0.37 |
| ▸ | TSHR | P16473 | 4/20 | 0.37 |
| ▸ | TP53 | P04637 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | RECQL | P46063 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | GNRHR | P30968 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1366825 | 0.88 | CYP2C9 (0.46) | KLKB1KLK1CNR2RAB9ANPC1 | |
| SCHEMBL7918066 | 0.85 | PPARG (0.39) | CNR2MAPTTP53ALDH1A1GNRHR | |
| SCHEMBL7914678 | 0.85 | POLB (0.36) | TP53ALDH1A1SMN1; SMN2RECQLGNRHR | |
| SCHEMBL7914357 | 0.84 | TP53 (0.40) | MAPTTP53GNRHRPOLB | |
| SCHEMBL7914360 | 0.83 | S1PR3 (0.39) | L3MBTL1 | |
| SCHEMBL12151037 | 0.83 | S1PR3 (0.37) | TP53GNRHRPOLB | |
| SCHEMBL11920290 | 0.82 | GNRHR (0.36) | CNR2LMNASMN1; SMN2GNRHR | |
| SCHEMBL11920581 | 0.82 | GNRHR (0.39) | CNR2GNRHR | |
| SCHEMBL7911647 | 0.82 | GNRHR (0.42) | MAPK1LMNATP53GNRHRPOLB | |
| SCHEMBL7914022 | 0.81 | ROCK2 (0.33) | MAPK1TP53GNRHRPOLB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010045948-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2010-04-29 | — | — | WO | disclosed |