Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.41 |
| ▸ | ESRRA | P11474 | 1/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL28240100 | 0.92 | CYP2A6 (0.61) | CYP2A6CYP1A2MEN1KMT2AMAPT | |
| SCHEMBL145859 | 0.90 | CYP2A6 (0.68) | CYP2A6CYP1A2MEN1KMT2AMAPT | |
| SCHEMBL8208536 | 0.90 | CYP2A6 (0.68) | CYP2A6CYP1A2MEN1KMT2AMAPT | |
| Acetone SCHEMBL28077026 | 0.86 | CYP2A6 (0.74) | CYP2A6CYP1A2MEN1KMT2AMAPT | |
| Chlorobenzene SCHEMBL28112104 | 0.85 | CYP1A2 (0.61) | CYP2A6CYP1A2MAPTALDH1A1GRIK1 | |
| Phenol SCHEMBL6410569 | 0.84 | CYP2A6 (0.55) | CYP2A6CYP1A2MEN1KMT2AMAPT | |
| Dimethylformamide SCHEMBL28302419 | 0.83 | CYP2A6 (0.50) | CYP2A6CYP1A2MEN1KMT2AMAPT | |
| Butanone SCHEMBL28080139 | 0.78 | CYP1A2 (0.61) | CYP2A6CYP1A2MEN1KMT2AMAPT | |
| Methyl Alcohol SCHEMBL28240101 | 0.76 | CYP2A6 (0.85) | CYP2A6CYP1A2MAPTALDH1A1HPGD | |
| Naphthalene SCHEMBL8141546 | 0.76 | CYP2A6 (0.94) | CYP2A6CYP1A2ALDH1A1HPGDTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105754099-B | Composition and polymer | 旭化成株式会社 | 2018-09-18 | — | — | CN | disclosed |
| CN-103502315-B | Composition and polymer | 旭化成株式会社 | 2016-08-17 | — | — | CN | disclosed |
| CN-105754099-A | Composition and polymer | 旭化成株式会社 | 2016-07-13 | — | — | CN | disclosed |