Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | RARB | P10826 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.33 |
| ▸ | TACR2 | P21452 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SHBG | P04278 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL26181113 | 0.96 | NPC1 (0.37) | NPC1GAANFKB1RAB9ANFKB2 | |
| SCHEMBL30559937 | 0.89 | NPC1 (0.36) | NPC1GAANFKB1RAB9ANFKB2 | |
| SCHEMBL21196880 | 0.89 | NPC1 (0.36) | NPC1GAANFKB1RAB9ANFKB2 | |
| SCHEMBL26882673 | 0.89 | NPC1 (0.36) | NPC1GAANFKB1RAB9ANFKB2 | |
| SCHEMBL12621158 | 0.87 | NPC1 (0.39) | NPC1GAANFKB1RAB9ANFKB2 | |
| SCHEMBL18066294 | 0.85 | NPC1 (0.35) | NPC1GAANFKB1RAB9ANFKB2 | |
| SCHEMBL17289511 | 0.85 | NPC1 (0.35) | NPC1GAANFKB1RAB9ANFKB2 | |
| SCHEMBL18066301 | 0.85 | NPC1 (0.35) | NPC1GAANFKB1RAB9ANFKB2 | |
| SCHEMBL20043831 | 0.85 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL29971139 | 0.82 | ESR1 (0.42) | NPC1GAANFKB1RAB9ANFKB2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3481834-B1 | ORGANIC SEMICONDUCTING COMPOUNDS | RAYNERGY TEK INC (TW) | 2023-10-18 | — | — | EP | disclosed |
| WO-2018065352-A1 | ORGANIC PHOTODETECTOR | MERCK PATENT GMBH (DE) | 2018-04-12 | — | — | WO | disclosed |
| WO-2018065356-A1 | ORGANIC SEMICONDUCTING COMPOUNDS | MERCK PATENT GMBH (DE) | 2018-04-12 | — | — | WO | disclosed |