Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.34 |
| ▸ | POLQ | O75417 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL162277 | 1.00 | RAB9A (0.40) | RAB9ACYP1A2CYP2D6CYP2C19THRB | |
| SCHEMBL8593598 | 0.87 | MAPK1 (0.47) | RAB9ACYP1A2CYP2D6CYP2C19KDM4E | |
| SCHEMBL7525499 | 0.87 | ALDH1A1 (0.54) | RAB9ACYP1A2CYP2D6CYP2C19THRB | |
| SCHEMBL10886564 | 0.84 | CYP3A4 (0.44) | TDP1MAPK1CYP3A4ALDH1A1HPGD | |
| SCHEMBL7704445 | 0.83 | CYP3A4 (0.32) | RAB9ACYP1A2CYP2D6CYP2C19THRB | |
| SCHEMBL3665786 | 0.82 | RAB9A (0.36) | RAB9ACYP1A2CYP2D6CYP2C19THRB | |
| SCHEMBL30562945 | 0.82 | RAB9A (0.36) | RAB9ACYP1A2CYP2D6CYP2C19THRB | |
| SCHEMBL9235250 | 0.81 | CYP3A4 (0.49) | TDP1CYP3A4ALDH1A1HPGDTRPA1 | |
| SCHEMBL31135862 | 0.80 | CES2 (0.46) | CYP1A2CYP2C19KDM4ETDP1CYP3A4 | |
| SCHEMBL3104369 | 0.80 | CYP3A4 (0.50) | CYP1A2TDP1MAPK1CYP3A4ALDH1A1 |
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-112020525-B | Adducts of amine catalysts for preparing isocyanurate polymers | 科思创知识产权两合公司 | 2023-05-16 | — | — | CN | disclosed |
| EP-3997149-A1 | POLYMERIZABLE COMPOSITIONS FOR PREPARING POLYISOCYANURATE-BASED PLASTICS HAVING EXTENDED WORKLIFE | Covestro Intellectual Property GmbH & Co. KG (DE) | 2022-05-18 | — | — | EP | disclosed |