Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.68 |
| ▸ | MEN1 | O00255 | 3/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.68 |
| ▸ | GAA | P10253 | 1/20 | 0.68 |
| ▸ | POLB | P06746 | 4/20 | 0.63 |
| ▸ | PKM | P14618 | 2/20 | 0.63 |
| ▸ | DAO | P14920 | 1/20 | 0.62 |
| ▸ | HPGD | P15428 | 3/20 | 0.61 |
| ▸ | TP53 | P04637 | 2/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.61 |
| ▸ | PNMT | P11086 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 6/20 | 0.57 |
| ▸ | NPC1 | O15118 | 5/20 | 0.57 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.53 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.53 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL29624790 | 1.00 | ALDH1A1 (0.68) | ALDH1A1MEN1KMT2ACYP1A2CYP2C19 | |
| SCHEMBL3649120 | 1.00 | ALDH1A1 (0.68) | ALDH1A1MEN1KMT2ACYP1A2CYP2C19 | |
| SCHEMBL2461710 | 0.98 | ALDH1A1 (0.70) | ALDH1A1MEN1KMT2ACYP1A2CYP2C19 | |
| SCHEMBL2462740 | 0.94 | DAO (0.70) | ALDH1A1MEN1KMT2ACYP1A2CYP2C19 | |
| Trifluoroacetic Acid SCHEMBL29977305 | 0.87 | ALDH1A1 (0.61) | ALDH1A1MEN1KMT2ACYP1A2CYP2C19 | |
| SCHEMBL28870926 | 0.83 | ALDH1A1 (0.96) | ALDH1A1MEN1KMT2ACYP1A2CYP2C19 | |
| SCHEMBL3743711 | 0.83 | ALDH1A1 (0.96) | ALDH1A1MEN1KMT2ACYP1A2CYP2C19 | |
| SCHEMBL28870929 | 0.83 | ALDH1A1 (0.96) | ALDH1A1MEN1KMT2ACYP1A2CYP2C19 | |
| SCHEMBL13908042 | 0.81 | ALDH1A1 (0.68) | ALDH1A1MEN1KMT2ACYP1A2CYP2C19 | |
| SCHEMBL1068704 | 0.81 | ALDH1A1 (1.00) | ALDH1A1MEN1KMT2ACYP1A2CYP2C19 |
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-114929681-B | Bicyclic CX3CR1 receptor agonists | 德州大学系统董事会 | 2024-05-14 | — | — | CN | disclosed |
| EP-4003972-A1 | BICYCLIC CX3CR1 RECEPTOR AGONISTS | Board of Regents, The University of Texas System (US) | 2022-06-01 | — | — | EP | disclosed |