Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL28219020 | 0.91 | TSHR (0.45) | CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL4767521 | 0.83 | — | — | |
| SCHEMBL22395 | 0.83 | — | — | |
| SCHEMBL1254977 | 0.83 | FBP1 (0.41) | TSHRTDP1KDM4EALDH1A1HPGD | |
| Cyanide SCHEMBL27917171 | 0.80 | — | — | |
| Benzene SCHEMBL28756946 | 0.80 | DAO (0.40) | TSHRTDP1KDM4EALDH1A1HPGD | |
| Hydrogen Sulfide SCHEMBL29248840 | 0.80 | — | — | |
| SCHEMBL3805323 | 0.80 | — | — | |
| Water SCHEMBL625172 | 0.80 | FBP1 (0.39) | TSHRTDP1KDM4EALDH1A1HPGD | |
| Iodide SCHEMBL1306389 | 0.80 | — | — |
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-105765031-A | Novel light-emitting compound and organic light-emitting element comprising same | 东进世美肯株式会社 | 2016-07-13 | — | — | CN | disclosed |