Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 4/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Thiophene SCHEMBL29272688 | 0.74 | CYP1A2 (0.50) | NPC1RAB9AL3MBTL1HPGDCYP1A2 | |
| Butylcyclohexane SCHEMBL27978634 | 0.73 | CYP1A2 (0.55) | NPC1RAB9AL3MBTL1MEN1KMT2A | |
| SCHEMBL28514384 | 0.73 | CYP1A2 (0.39) | NPC1RAB9AL3MBTL1MEN1KMT2A | |
| SCHEMBL28308031 | 0.72 | CYP2C9 (0.43) | NPC1RAB9AL3MBTL1MEN1KMT2A | |
| SCHEMBL28861910 | 0.72 | CYP1A2 (0.49) | NPC1RAB9AL3MBTL1MEN1KMT2A | |
| SCHEMBL128592 | 0.71 | — | — | |
| SCHEMBL139805 | 0.71 | — | — | |
| SCHEMBL9957872 | 0.71 | FBP1 (0.41) | NPC1RAB9AL3MBTL1MEN1KMT2A | |
| SCHEMBL27775112 | 0.69 | — | — | |
| SCHEMBL23227948 | 0.69 | CYP1A2 (0.62) | MEN1KMT2ACYP1A2ALDH1A1OPRM1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109970768-B | Based on carbazole eleven-membered condensed ring planar nucleus D (A-Ar)2Organic photoelectric compound, preparation method and application | 常州大学 | 2020-12-25 | — | — | CN | disclosed |