Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 4/20 | 0.48 |
| ▸ | TAS1R1 | Q7RTX1 | 4/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.47 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | HPGDS | O60760 | 1/20 | 0.43 |
| ▸ | SCN1A | P35498 | 1/20 | 0.42 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.42 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | F10 | P00742 | 1/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL255181 | 1.00 | TAS1R3 (0.48) | TAS1R3TAS1R1CA2CA1ERAP2 | |
| SCHEMBL1761476 | 0.90 | TAS1R3 (0.59) | TAS1R3TAS1R1CA2CA1NPC1 | |
| SCHEMBL20299859 | 0.88 | TAS1R3 (0.45) | TAS1R3TAS1R1CA2CA1ERAP2 | |
| SCHEMBL19262693 | 0.88 | TAS1R3 (0.45) | TAS1R3TAS1R1CA2CA1ERAP2 | |
| SCHEMBL19262856 | 0.88 | TAS1R3 (0.45) | TAS1R3TAS1R1CA2CA1ERAP2 | |
| SCHEMBL10272817 | 0.88 | LMNA (0.48) | CA2CA1ERAP2NPC1RAB9A | |
| SCHEMBL12055633 | 0.87 | NPC1 (0.54) | TAS1R3TAS1R1CA2CA1LNPEP | |
| SCHEMBL1109093 | 0.87 | NPC1 (0.54) | TAS1R3TAS1R1CA2CA1LNPEP | |
| SCHEMBL15235727 | 0.85 | TAS1R3 (0.43) | TAS1R3TAS1R1CA2CA1ERAP2 | |
| SCHEMBL15235725 | 0.85 | TAS1R3 (0.43) | TAS1R3TAS1R1CA2CA1ERAP2 |
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 |