Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.95 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.95 |
| ▸ | HTR2A | P28223 | 1/20 | 0.53 |
| ▸ | HTR2C | P28335 | 1/20 | 0.53 |
| ▸ | HTR2B | P41595 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
| ▸ | RIOK2 | Q9BVS4 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.46 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.46 |
| ▸ | MC4R | P32245 | 1/20 | 0.46 |
| ▸ | MC5R | P33032 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL73386 | 0.98 | CYP2A6 (1.00) | CYP2A6CYP1A2HTR2AHTR2CHTR2B | |
| SCHEMBL31534025 | 0.98 | CYP2A6 (1.00) | CYP2A6CYP1A2HTR2AHTR2CHTR2B | |
| Ammonia Solution, Strong SCHEMBL7978193 | 0.95 | CYP2A6 (0.95) | CYP2A6CYP1A2HTR2AHTR2CHTR2B | |
| Lithium SCHEMBL31073461 | 0.95 | CYP2A6 (0.95) | CYP2A6CYP1A2HTR2AHTR2CHTR2B | |
| Ethylene SCHEMBL27321489 | 0.93 | CYP2A6 (0.91) | CYP2A6CYP1A2HTR2AHTR2CHTR2B | |
| Methane SCHEMBL27919312 | 0.93 | CYP2A6 (0.91) | CYP2A6CYP1A2HTR2AHTR2CHTR2B | |
| Dimethylamine SCHEMBL6379453 | 0.91 | CYP2A6 (0.87) | CYP2A6CYP1A2HTR2AHTR2CHTR2B | |
| SCHEMBL40950 | 0.91 | CYP1A2 (0.86) | CYP2A6CYP1A2HTR2AHTR2CHTR2B | |
| SCHEMBL6892841 | 0.91 | CYP1A2 (0.86) | CYP2A6CYP1A2HTR2AHTR2CHTR2B | |
| SCHEMBL6890420 | 0.91 | CYP1A2 (0.86) | CYP2A6CYP1A2HTR2AHTR2CHTR2B |
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 |
|---|---|---|---|---|---|---|---|
| CN-1019797-B | 2, the selection production of 6-diethylna-phthalene | AMOCO CORP (US) | 1992-12-30 | — | — | CN | disclosed |
| CN-1043492-A | 2, the selection production of 6-diethylna-phthalene | AMOCO CORP (US) | 1990-07-04 | — | — | CN | disclosed |