Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | ESRRG | P62508 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | MLYCD | O95822 | 1/20 | 0.36 |
| ▸ | F10 | P00742 | 4/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.36 |
| ▸ | F2 | P00734 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15237910 | 0.88 | ADRB2 (0.37) | NPC1RAB9AESRRGADRB2ADRB1 | |
| SCHEMBL254376 | 0.86 | CA2 (0.43) | NPC1RAB9AESRRGADRB2ADRB1 | |
| SCHEMBL254610 | 0.85 | ANPEP (0.41) | NPC1RAB9AESRRG | |
| SCHEMBL255310 | 0.84 | NPC1 (0.38) | NPC1RAB9AESRRGADRB2ADRB1 | |
| SCHEMBL254164 | 0.79 | NPC1 (0.36) | NPC1RAB9AESRRGADRB2ADRB1 | |
| SCHEMBL19262701 | 0.75 | — | — | |
| SCHEMBL159041 | 0.74 | — | — | |
| SCHEMBL15235779 | 0.74 | — | — | |
| SCHEMBL15235729 | 0.73 | CA2 (0.39) | NPC1RAB9AESRRGADRB2ADRB1 | |
| SCHEMBL255220 | 0.73 | NPC1 (0.41) | NPC1RAB9AESRRGCA2 |
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 |