Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.74 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.74 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.47 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.47 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.47 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.46 |
| ▸ | PLK1 | P53350 | 1/20 | 0.46 |
| ▸ | ESRRA | P11474 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.43 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.43 |
| ▸ | RORC | P51449 | 1/20 | 0.43 |
| ▸ | RORB | Q92753 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Butanone SCHEMBL28080139 | 0.91 | CYP1A2 (0.61) | CYP2A6CYP1A2NR4A1NR4A2NR4A3 | |
| Methyl Alcohol SCHEMBL28240101 | 0.89 | CYP2A6 (0.85) | CYP2A6CYP1A2NR4A1NR4A2NR4A3 | |
| Acetone SCHEMBL28077025 | 0.86 | CYP2A6 (0.55) | CYP2A6CYP1A2ESRRAMAPTALDH1A1 | |
| SCHEMBL19854 | 0.86 | CYP2A6 (1.00) | CYP2A6CYP1A2NR4A1NR4A2NR4A3 | |
| SCHEMBL27987885 | 0.86 | CYP2A6 (1.00) | CYP2A6CYP1A2NR4A1NR4A2NR4A3 | |
| SCHEMBL29351228 | 0.86 | CYP2A6 (1.00) | CYP2A6CYP1A2NR4A1NR4A2NR4A3 | |
| SCHEMBL31310956 | 0.86 | CYP2A6 (1.00) | CYP2A6CYP1A2NR4A1NR4A2NR4A3 | |
| Formaldehyde SCHEMBL28028373 | 0.84 | CYP2A6 (0.85) | CYP2A6CYP1A2NR4A1NR4A2NR4A3 | |
| Hydrochloric Acid SCHEMBL28744332 | 0.84 | CYP2A6 (0.94) | CYP2A6CYP1A2NR4A2MAPTALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL11442084 | 0.84 | CYP2A6 (0.94) | CYP2A6CYP1A2NR4A2ALDH1A1HPGD |
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 |