Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | GRIA4 | P48058 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.40 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.40 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.40 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.40 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.40 |
| ▸ | NQO2 | P16083 | 1/20 | 0.40 |
| ▸ | RPA1 | P27694 | 2/20 | 0.39 |
| ▸ | MYC | P01106 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28850533 | 0.86 | NQO2 (0.44) | ALDH1A1KMT2AHPGDTP53CCNB2 | |
| Hydrochloric Acid SCHEMBL16241844 | 0.85 | NQO2 (0.43) | ALDH1A1KMT2AHPGDTP53CCNB2 | |
| SCHEMBL2214810 | 0.75 | NOTUM (0.50) | ALDH1A1KMT2AHPGDKDM4EMYC | |
| SCHEMBL28630613 | 0.75 | KMT2A (0.52) | ALDH1A1KMT2AHPGDKDM4ECCNB2 | |
| SCHEMBL9955427 | 0.72 | NR4A1 (0.39) | ALDH1A1KMT2AKDM4EMAPTMYC | |
| SCHEMBL10046853 | 0.72 | FNTA (0.44) | ALDH1A1HPGDMAPT | |
| SCHEMBL7329614 | 0.71 | KMT2A (0.44) | ALDH1A1KMT2AHPGDKDM4ECCNB2 | |
| SCHEMBL10463696 | 0.71 | HPGD (0.51) | ALDH1A1KMT2AHPGDPKMKDM4E | |
| SCHEMBL11193555 | 0.71 | HSD17B10 (0.46) | ALDH1A1KMT2AHPGDKDM4EMAPT | |
| SCHEMBL27414914 | 0.70 | MAPK1 (0.56) | ALDH1A1KMT2ATP53MAPTHTT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020042428-A1 | Quinuclidine-substituted heteroaryl moieties for treatment of disease | PHARMACIA & UPJOHN COMPANY | 2002-04-11 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20020042428-A1 | Quinuclidine-substituted heteroaryl moieties for treatment of disease | NQO2, GBA1, UGT1A1 | ALDH1A1 130/4885KMT2A 3388/4885HPGD 581/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.