Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 10/20 | 0.57 |
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8986825 | 0.86 | ESR1 (0.54) | ACACBESR1KCNH2NPC1RAB9A | |
| SCHEMBL8986819 | 0.86 | ESR1 (0.54) | ACACBESR1KCNH2NPC1RAB9A | |
| SCHEMBL11959175 | 0.86 | ACACB (0.56) | ACACBESR1KCNH2NPC1RAB9A | |
| SCHEMBL4474242 | 0.84 | CYP1A2 (0.51) | ACACBESR1KCNH2NPC1RAB9A | |
| SCHEMBL6540778 | 0.84 | CYP1A2 (0.51) | ACACBESR1KCNH2NPC1RAB9A | |
| SCHEMBL6677150 | 0.84 | CYP1A2 (0.51) | ACACBESR1KCNH2NPC1RAB9A | |
| SCHEMBL6801338 | 0.84 | ESR1 (0.50) | ACACBESR1KCNH2NPC1RAB9A | |
| SCHEMBL11695904 | 0.84 | ESR1 (0.57) | ACACBESR1KCNH2NPC1RAB9A | |
| SCHEMBL11695897 | 0.84 | ESR1 (0.57) | ACACBESR1KCNH2NPC1RAB9A | |
| SCHEMBL12204087 | 0.84 | ACACB (0.57) | ACACBESR1KCNH2NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011124093-A1 | BICYCLIC QUINOLONE COMPOUNDS, PREPARATION METHODS AND USES THEREOF | 山东轩竹医药科技有限公司 (CN) | 2011-10-13 | — | — | WO | disclosed |
| WO-2009103478-A1 | PYRIDONE AND PYRIDAZINONE DERIVATIVES AS MCH ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-08-27 | — | — | WO | disclosed |