Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | ESRRG | P62508 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.38 |
| ▸ | CYP26A1 | O43174 | 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 | |
|---|---|---|---|---|
| SCHEMBL255310 | 0.87 | NPC1 (0.38) | CA2NPC1RAB9AESRRGADRB2 | |
| SCHEMBL254947 | 0.86 | NPC1 (0.40) | CA2NPC1RAB9AESRRGADRB2 | |
| SCHEMBL15235729 | 0.86 | CA2 (0.39) | CA2NPC1RAB9AESRRGADRB2 | |
| SCHEMBL255220 | 0.83 | NPC1 (0.41) | CA2NPC1RAB9AESRRG | |
| SCHEMBL254164 | 0.81 | NPC1 (0.36) | CA2NPC1RAB9AESRRGADRB2 | |
| SCHEMBL1761476 | 0.80 | TAS1R3 (0.59) | CA2NPC1RAB9AMEN1LMNA | |
| SCHEMBL254640 | 0.77 | ACACB (0.41) | CA2NPC1RAB9AESRRGADRB2 | |
| SCHEMBL20299901 | 0.77 | ACACB (0.41) | CA2NPC1RAB9AESRRGADRB2 | |
| SCHEMBL255440 | 0.76 | TAS1R3 (0.48) | CA2NPC1RAB9AADRB2ADRB1 | |
| SCHEMBL255181 | 0.76 | TAS1R3 (0.48) | CA2NPC1RAB9AADRB2ADRB1 |
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 |