Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | QPCT | Q16769 | 1/20 | 0.38 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.36 |
| ▸ | GABRR2 | P28476 | 1/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.36 |
| ▸ | FKBP5 | Q13451 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13134162 | 0.85 | KMT2A (0.36) | MEN1KMT2AQPCTQPCTLALDH1A1 | |
| SCHEMBL7158594 | 0.84 | — | — | |
| SCHEMBL19974661 | 0.77 | MEN1 (0.41) | MEN1KMT2AQPCTQPCTLALDH1A1 | |
| SCHEMBL19974669 | 0.76 | ELANE (0.38) | MEN1KMT2AHRH3 | |
| SCHEMBL19974655 | 0.76 | ELANE (0.41) | MEN1KMT2AQPCTQPCTLALDH1A1 | |
| SCHEMBL19974645 | 0.73 | MEN1 (0.38) | MEN1KMT2AQPCTQPCTLALDH1A1 | |
| SCHEMBL7449177 | 0.73 | ALDH1A1 (0.40) | KMT2AQPCTQPCTLALDH1A1CYP3A4 | |
| SCHEMBL13134160 | 0.72 | MEN1 (0.40) | MEN1KMT2AQPCTQPCTLALDH1A1 | |
| SCHEMBL19974760 | 0.72 | HRH3 (0.40) | MEN1KMT2AQPCTQPCTLALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL4603961 | 0.69 | HRH4 (0.51) | ALDH1A1CYP3A4TSHRGABRA1NFKB1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114636774-B | Biological metabolism marker composition for predicting adolescent hypertension disease risk | 苏州市疾病预防控制中心 | 2024-05-17 | — | — | CN | claimed |
| CN-114636774-A | Biological metabolism marker composition for predicting risk of juvenile hypertension | 苏州市疾病预防控制中心 | 2022-06-17 | — | — | CN | claimed |
| CN-114636774-B | Biological metabolism marker composition for predicting adolescent hypertension disease risk | 苏州市疾病预防控制中心 | 2024-05-17 | — | — | CN | disclosed |
| CN-114636774-B | Biological metabolism marker composition for predicting adolescent hypertension disease risk | 苏州市疾病预防控制中心 | 2024-05-17 | — | — | CN | disclosed |
| CN-114636774-A | Biological metabolism marker composition for predicting risk of juvenile hypertension | 苏州市疾病预防控制中心 | 2022-06-17 | — | — | CN | disclosed |
| CN-114636774-A | Biological metabolism marker composition for predicting risk of juvenile hypertension | 苏州市疾病预防控制中心 | 2022-06-17 | — | — | CN | disclosed |
| US-9673030-B2 | Computer readable storage mediums, methods and systems for normalizing chemical profiles in biological or medical samples detected by mass spectrometry | EMORY UNIVERSITY (US) | 2017-06-06 | — | — | US | disclosed |
| US-20110282587-A1 | COMPUTER READABLE STORAGE MEDIUMS, METHODS AND SYSTEMS FOR NORMALIZING CHEMICAL PROFILES IN BIOLOGICAL OR MEDICAL SAMPLES DETECTED BY MASS SPECTROMETRY | EMORY UNIVERSITY (US) | 2011-11-17 | — | — | US | disclosed |