Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.45 |
| ▸ | NQO2 | P16083 | 1/20 | 0.45 |
| ▸ | PLAU | P00749 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.43 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.43 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.43 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.43 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.43 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11245615 | 0.81 | PTPN1 (0.44) | HDAC8HDAC6HDAC3HDAC4HDAC1 | |
| Fluoride SCHEMBL11245620 | 0.80 | PTPN1 (0.58) | — | |
| SCHEMBL27960112 | 0.77 | PLK1 (0.51) | PLK1HDAC8HDAC6NQO2PLAU | |
| SCHEMBL21055125 | 0.73 | P4HB (0.46) | HDAC8HDAC6PLAUHDAC4HDAC2 | |
| SCHEMBL14214022 | 0.73 | KIF11 (0.55) | HDAC8HDAC6PLAUHDAC1HDAC2 | |
| SCHEMBL13407792 | 0.73 | TAS1R3 (0.59) | PLK1HDAC8HDAC6HDAC2PDK2 | |
| SCHEMBL13870617 | 0.73 | ADCY8 (0.50) | HDAC8HDAC6PLAUHDAC4HDAC1 | |
| SCHEMBL761366 | 0.72 | PLAU (0.66) | PLK1HDAC8HDAC6PLAUHDAC3 | |
| SCHEMBL15628894 | 0.72 | GAA (0.47) | PLK1HDAC8HDAC6HDAC3HDAC4 | |
| SCHEMBL30369626 | 0.72 | PLAU (0.66) | PLK1HDAC8HDAC6PLAUHDAC3 |
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 |
|---|---|---|---|---|---|---|---|
| US-9695191-B2 | Conformationally constrained, fully synthetic macrocyclic compounds | POLYPHOR AG (CH) | 2017-07-04 | — | — | US | disclosed |
| US-20120202821-A1 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | POLYPHOR AG (CH) | 2012-08-09 | — | — | 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-20120202821-A1 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | HTR2B, MC1R, HTR1A | PLK1 2005/4885HDAC8 3327/4885HDAC6 3783/4885 |
“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.