Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | FBP1 | P09467 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28968685 | 1.00 | ALDH1A1 (0.42) | ALDH1A1HPGDNOS2POLBESR1 | |
| SCHEMBL28478205 | 0.87 | GRIN2B (0.42) | ALDH1A1HPGDNOS2CYP1A2CYP2D6 | |
| SCHEMBL24185372 | 0.85 | NOS2 (0.47) | ALDH1A1HPGDNOS2POLBESR1 | |
| SCHEMBL28968684 | 0.84 | KMT2A (0.42) | ALDH1A1HPGDPOLBMEN1KMT2A | |
| SCHEMBL9445264 | 0.84 | TSHR (0.51) | ALDH1A1HPGDNOS2POLBESR1 | |
| SCHEMBL14255673 | 0.81 | NOS1 (0.45) | ALDH1A1HPGDNOS2POLBESR1 | |
| SCHEMBL26785 | 0.80 | MIF (0.47) | ALDH1A1HPGDNOS2MEN1KMT2A | |
| SCHEMBL5465655 | 0.80 | MIF (0.47) | ALDH1A1HPGDNOS2MEN1KMT2A | |
| Acetone SCHEMBL28493231 | 0.79 | NOS2 (0.43) | ALDH1A1NOS2SMN1; SMN2 | |
| Chloromethane SCHEMBL15655633 | 0.78 | MIF (0.43) | ALDH1A1HPGDNOS2MEN1KMT2A |
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-116217881-A | Xylylene diisocyanate composition, polymerizable composition for optical material, resin, molded article, optical element, and lens | 三井化学株式会社 | 2023-06-06 | — | — | CN | disclosed |
| CN-115667211-B | Xylylene diisocyanate composition, polymerizable composition for optical material, resin, molded article, optical element, and lens | 三井化学株式会社 | 2023-04-28 | — | — | CN | disclosed |
| CN-115667211-A | Xylylene diisocyanate composition, polymerizable composition for optical material, resin, molded article, optical element, and lens | 三井化学株式会社 | 2023-01-31 | — | — | CN | disclosed |