Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDFT1 | P37268 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.30 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4373548 | 0.82 | NPC1 (0.42) | FDFT1NPC1RAB9ACHRNB2CHRNA4 | |
| SCHEMBL30955208 | 0.82 | NPC1 (0.42) | FDFT1NPC1RAB9ACHRNB2CHRNA4 | |
| SCHEMBL29480725 | 0.80 | FDFT1 (0.34) | FDFT1NPC1RAB9ACHRNB2CHRNA4 | |
| SCHEMBL22736214 | 0.80 | FDFT1 (0.34) | FDFT1NPC1RAB9ACHRNB2CHRNA4 | |
| SCHEMBL31065707 | 0.78 | FDFT1 (0.33) | FDFT1NPC1RAB9ACHRNB2CHRNA4 | |
| SCHEMBL18489402 | 0.78 | FDFT1 (0.37) | FDFT1NPC1RAB9ACHRNB2CHRNA4 | |
| SCHEMBL1241173 | 0.78 | FDFT1 (0.37) | FDFT1NPC1RAB9ACHRNB2CHRNA4 | |
| SCHEMBL11905760 | 0.78 | ADRB2 (0.41) | FDFT1NPC1RAB9ACHRNB2CHRNA4 | |
| SCHEMBL12614358 | 0.78 | ADRB2 (0.41) | FDFT1NPC1RAB9ACHRNB2CHRNA4 | |
| SCHEMBL29749161 | 0.78 | ADRB2 (0.41) | FDFT1NPC1RAB9ACHRNB2CHRNA4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2785695-B1 | NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2020-06-17 | — | — | EP | disclosed |
| WO-2013072903-A1 | NITROIMIDAZOXADIAZOCINE COMPOUNDS | ITHEMBA PHARMACEUTICALS (PROPRIETARY) LIMITED (ZA) | 2013-05-23 | — | — | WO | disclosed |