Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.35 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | MYB | P10242 | 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 | |
|---|---|---|---|---|
| SCHEMBL21159670 | 0.98 | NPC1 (0.40) | NPC1RAB9ASLC22A12CYP19A1ALDH1A3 | |
| SCHEMBL21160263 | 0.97 | NPC1 (0.41) | NPC1RAB9ASLC22A12CYP19A1ALDH1A3 | |
| SCHEMBL21160342 | 0.93 | NPC1 (0.38) | NPC1RAB9ASLC22A12CYP19A1ALDH1A3 | |
| SCHEMBL21160343 | 0.93 | NPC1 (0.39) | NPC1RAB9ASLC22A12CYP19A1MYB | |
| SCHEMBL21159672 | 0.91 | ADORA2A (0.35) | NPC1RAB9ACYP19A1ALDH1A3 | |
| SCHEMBL21159977 | 0.88 | NPC1 (0.46) | NPC1RAB9ASLC22A12CYP19A1ALDH1A3 | |
| SCHEMBL21160196 | 0.88 | KDM4E (0.33) | NPC1RAB9A | |
| SCHEMBL21159679 | 0.88 | ALK (0.33) | NPC1RAB9ASLC22A12 | |
| SCHEMBL18819153 | 0.87 | NPC1 (0.40) | NPC1RAB9ASLC22A12CYP19A1ALDH1A3 | |
| SCHEMBL21159944 | 0.85 | F10 (0.33) | NPC1RAB9ASLC22A12CYP19A1 |
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-2024111957-A1 | COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE | 삼성에스디아이 주식회사 | 2024-05-30 | — | — | WO | disclosed |