Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYCR1 | P32322 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | CCR5 | P51681 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | EDNRB | P24530 | 2/20 | 0.34 |
| ▸ | EDNRA | P25101 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6681997 | 0.86 | ABL1 (0.41) | HTR2ASLC6A4KCNH2ALDH1A1TSHR | |
| SCHEMBL11452260 | 0.83 | PYCR1 (0.51) | PYCR1HTR2ASLC6A4KCNH2CCR5 | |
| SCHEMBL43286 | 0.83 | GABRA1 (0.44) | PYCR1HTR2ASLC6A4KCNH2CCR5 | |
| SCHEMBL29426994 | 0.83 | GABRA1 (0.44) | PYCR1HTR2ASLC6A4KCNH2CCR5 | |
| SCHEMBL27669077 | 0.81 | SLC6A4 (0.37) | PYCR1HTR2ASLC6A4KCNH2CCR5 | |
| SCHEMBL11717708 | 0.80 | EDNRB (0.39) | PYCR1CCR5ALDH1A1TSHRHPGD | |
| SCHEMBL17061197 | 0.79 | TAAR1 (0.52) | HTR2ASLC6A4KCNH2CCR5 | |
| SCHEMBL3455585 | 0.79 | HTR2A (0.36) | PYCR1HTR2ASLC6A4KCNH2CCR5 | |
| SCHEMBL3455233 | 0.79 | SMN1; SMN2 (0.40) | PYCR1HTR2ASLC6A4KCNH2CCR5 | |
| SCHEMBL26667643 | 0.78 | HSP90AA1 (0.38) | PYCR1ALDH1A1TSHRHPGDKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-12018011-B2 | Macrocyclic compounds and compositions, and methods of preparing and using the same | KURA ONCOLOGY, INC. (US) | 2024-06-25 | — | — | US | disclosed |
| US-20230322711-A1 | MACROCYCLIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF PREPARING AND USING THE SAME | WUXI APPTEC (HONG KONG) LIMITED (CN) | 2023-10-12 | — | — | US | disclosed |
| US-20180179167-A1 | Nrf2 REGULATORS | GLAXOSMITHKLINE IP DEV LTD (GB) | 2018-06-28 | — | — | 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 (3 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-12018011-B2 | Macrocyclic compounds and compositions, and methods of preparing and using the same | FNTA, FDPS, GGPS1 | PYCR1 1034/4885HTR2A 4841/4885SLC6A4 4877/4885 |
| US-20230322711-A1 | MACROCYCLIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF PREPARING AND USING THE SAME | FNTA, FDPS, GGPS1 | PYCR1 1034/4885HTR2A 4841/4885SLC6A4 4877/4885 |
| US-20180179167-A1 | Nrf2 REGULATORS | NFE2L2, KEAP1, NQO1 | PYCR1 717/4885HTR2A 1982/4885SLC6A4 3333/4885 |
“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.