Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 1/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.56 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.50 |
| ▸ | TNF | P01375 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | NAMPT | P43490 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9130521 | 0.91 | PDK2 (0.54) | SLC6A4KCNH2PDK2HDAC3HDAC1 | |
| SCHEMBL17197988 | 0.87 | CES2 (0.53) | SLC6A4KCNH2PDK2HDAC3HDAC1 | |
| SCHEMBL18650133 | 0.79 | CES2 (0.49) | SLC6A4KCNH2HDAC3HDAC1HDAC2 | |
| SCHEMBL7011836 | 0.79 | CES2 (0.61) | SLC6A4CES2CES1SMN1; SMN2NPC1 | |
| SCHEMBL1006489 | 0.79 | NAMPT (0.54) | PDK2HDAC1ALDH1A1ACHEHPGD | |
| SCHEMBL28897045 | 0.79 | HSD17B1 (0.55) | PDK2ALDH1A1KDM4EHPGDNAMPT | |
| SCHEMBL14052528 | 0.78 | HPGD (0.64) | CES2CES1SMN1; SMN2NPC1ALDH1A1 | |
| SCHEMBL3302319 | 0.78 | CES2 (0.59) | CES2CES1SMN1; SMN2ALDH1A1ESR1 | |
| SCHEMBL22542595 | 0.77 | HDAC3 (0.51) | SLC6A4KCNH2HDAC3HDAC1HDAC2 | |
| SCHEMBL11250526 | 0.77 | MAOA (0.54) | SLC6A4KCNH2HDAC3HDAC1HDAC2 |
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-20170081346-A1 | MESOSCOPIC MATERIALS COMPRISED OF ORDERED SUPERLATTICES OF MICROPOROUS METAL-ORGANIC FRAMEWORKS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2017-03-23 | — | — | 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-20170081346-A1 | MESOSCOPIC MATERIALS COMPRISED OF ORDERED SUPERLATTICES OF MICROPOROUS METAL-ORGANIC FRAMEWORKS | MCM2, YTHDF2, MCM6 | SLC6A4 1821/4885KCNH2 3918/4885PDK2 775/4885 |
“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.