Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.71 |
| ▸ | RAB9A | P51151 | 4/20 | 0.71 |
| ▸ | MAPT | P10636 | 4/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.71 |
| ▸ | MEN1 | O00255 | 2/20 | 0.71 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | HTT | P42858 | 2/20 | 0.60 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | RXRA | P19793 | 1/20 | 0.56 |
| ▸ | RXRB | P28702 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.56 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.55 |
| ▸ | MAOB | P27338 | 1/20 | 0.54 |
| ▸ | APP | P05067 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL255214 | 1.00 | NPC1 (0.71) | NPC1RAB9AMAPTSMN1; SMN2MEN1 | |
| SCHEMBL10236929 | 0.92 | RAB9A (0.82) | NPC1RAB9AMAPTSMN1; SMN2MEN1 | |
| SCHEMBL11350421 | 0.92 | RAB9A (0.82) | NPC1RAB9AMAPTSMN1; SMN2MEN1 | |
| SCHEMBL8586158 | 0.88 | NPC1 (0.68) | NPC1RAB9AMAPTSMN1; SMN2MEN1 | |
| SCHEMBL18569721 | 0.88 | LOXL2 (0.75) | NPC1RAB9AMAPTSMN1; SMN2MEN1 | |
| SCHEMBL3729907 | 0.87 | NPC1 (0.75) | NPC1RAB9AMAPTSMN1; SMN2MEN1 | |
| SCHEMBL12086470 | 0.87 | RAB9A (0.80) | NPC1RAB9AMAPTSMN1; SMN2MEN1 | |
| SCHEMBL898771 | 0.86 | RXRA (0.77) | NPC1RAB9AMAPTSMN1; SMN2MEN1 | |
| SCHEMBL11363883 | 0.86 | RAB9A (0.73) | NPC1RAB9AMAPTSMN1; SMN2MEN1 | |
| SCHEMBL6959174 | 0.86 | NPC1 (0.73) | NPC1RAB9AMAPTSMN1; SMN2MEN1 |
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 |