Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NAMPT | P43490 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.30 |
| ▸ | ATR | Q13535 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL31363541 | 0.70 | LCK (0.47) | CA12CA1CA9LCKNAMPT | |
| SCHEMBL28046768 | 0.69 | RAB9A (0.40) | CTSLCTSBRAB9ANAMPTL3MBTL1 | |
| SCHEMBL2380141 | 0.68 | CTSL (0.37) | CTSLCTSBRAB9ANPC1NAMPT | |
| SCHEMBL9923086 | 0.66 | RAB9A (0.36) | CA12CA1RAB9AMEN1NPC1 | |
| SCHEMBL2379622 | 0.66 | CTSL (0.42) | CTSLCTSBRAB9AMEN1NPC1 | |
| SCHEMBL28162958 | 0.65 | IDO1 (0.38) | CTSLCTSBRAB9ANAMPTL3MBTL1 | |
| SCHEMBL8836159 | 0.63 | NOTUM (0.42) | CA12CA1CA9RAB9AMEN1 | |
| SCHEMBL27353303 | 0.63 | CTSL (0.37) | CTSLCA12CA1CA9CTSB | |
| SCHEMBL7463790 | 0.63 | NFKB1 (0.38) | CTSLCA12CA1CA9RAB9A | |
| SCHEMBL29860533 | 0.62 | MKNK2 (0.35) | CTSLMEN1GAAKMT2A |
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-2545053-A1 | AZAISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2013-01-16 | — | — | EP | disclosed |
| WO-2011110183-A1 | AZAISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2011-09-15 | — | — | WO | disclosed |