Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | RARB | P10826 | 1/20 | 0.38 |
| ▸ | RARG | P13631 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | ESRRG | P62508 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20299901 | 1.00 | ACACB (0.41) | ACACBADRB2ADRB1ADRB3APP | |
| SCHEMBL15235731 | 0.95 | ADRB2 (0.38) | ACACBADRB2ADRB1ADRB3NPC1 | |
| Trifluoroacetic Acid SCHEMBL20299911 | 0.93 | NPC1 (0.39) | ACACBNPC1RAB9ARARBRARG | |
| SCHEMBL16840367 | 0.87 | ACACB (0.38) | ACACBRARBRARGCA2 | |
| SCHEMBL3017864 | 0.86 | ACACB (0.46) | ACACB | |
| Hydrochloric Acid SCHEMBL16820709 | 0.86 | ACACB (0.38) | ACACBRARBRARGCA2 | |
| Hydrochloric Acid SCHEMBL16820710 | 0.86 | ACACB (0.38) | ACACBRARBRARGCA2 | |
| SCHEMBL15235729 | 0.85 | CA2 (0.39) | ACACBADRB2ADRB1ADRB3NPC1 | |
| SCHEMBL16840371 | 0.85 | MMP2 (0.40) | ACACBCA2 | |
| SCHEMBL20299876 | 0.85 | — | — |
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-2012031298-A2 | ETHYNYLBENZENE DERIVATIVES | DUKE UNIVERSITY (US) | 2012-03-08 | — | — | WO | disclosed |