Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | MLYCD | O95822 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | PPID | Q08752 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15237902 | 0.88 | LMNA (0.39) | LMNACYP1A2CYP3A4MAOANPC1 | |
| SCHEMBL10272817 | 0.85 | LMNA (0.48) | LMNACYP1A2CYP3A4MAOACYP26A1 | |
| SCHEMBL254790 | 0.80 | ANPEP (0.40) | PTGS1 | |
| SCHEMBL255440 | 0.73 | TAS1R3 (0.48) | NPC1RAB9AADRB2ADRB1ADRB3 | |
| SCHEMBL255181 | 0.73 | TAS1R3 (0.48) | NPC1RAB9AADRB2ADRB1ADRB3 | |
| SCHEMBL15237901 | 0.73 | LMNA (0.40) | LMNACYP1A2CYP3A4MAOANPC1 | |
| SCHEMBL13366139 | 0.72 | NPSR1 (0.56) | CYP1A2NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL1761476 | 0.71 | TAS1R3 (0.59) | LMNANPC1RAB9ASMN1; SMN2NPSR1 | |
| SCHEMBL2973497 | 0.71 | EPHX2 (0.45) | EPHX2PPARG | |
| SCHEMBL19262602 | 0.70 | — | — |
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 |