Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | HPGDS | O60760 | 2/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | ESRRG | P62508 | 4/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.38 |
| ▸ | MPO | P05164 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | KDM5A | P29375 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.38 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.37 |
| ▸ | ESRRB | O95718 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL255108 | 0.83 | ANPEP (0.43) | NPC1RAB9AEPHX2ESRRGHDAC1 | |
| SCHEMBL10272711 | 0.77 | HPGDS (0.34) | NPC1RAB9AHPGDSEPHX2ESRRG | |
| SCHEMBL19262704 | 0.72 | APP (0.42) | — | |
| SCHEMBL19262705 | 0.72 | APP (0.42) | — | |
| SCHEMBL15235682 | 0.71 | — | — | |
| SCHEMBL15235773 | 0.71 | — | — | |
| SCHEMBL254376 | 0.70 | CA2 (0.43) | NPC1RAB9AHPGDSEPHX2ESRRG | |
| SCHEMBL255220 | 0.70 | NPC1 (0.41) | NPC1RAB9AESRRG | |
| SCHEMBL853579 | 0.69 | MLYCD (0.59) | NPC1RAB9ACYP3A4HIF1AMEN1 | |
| Bisphenol A SCHEMBL28319737 | 0.69 | ESR1 (0.67) | ESRRGCYP3A4HIF1ALMNATDP1 |
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 |