Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 2/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | LOX | P28300 | 1/20 | 0.31 |
| ▸ | MIF | P14174 | 1/20 | 0.31 |
| ▸ | P2RY6 | Q15077 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13527310 | 0.95 | ADRB2 (0.42) | ADRB2PDPK1CA2CA9ALDH1A1 | |
| SCHEMBL14295127 | 0.89 | CA2 (0.34) | ADRB2PDPK1CA2CA9ALDH1A1 | |
| SCHEMBL21084402 | 0.86 | ADRB2 (0.48) | ADRB2PDPK1CA2CA9HTR3A | |
| SCHEMBL14048731 | 0.80 | ALDH1A1 (0.35) | HTR3AALDH1A1HSD17B10TP53TSHR | |
| SCHEMBL16674489 | 0.80 | ADRB2 (0.49) | ADRB2PDPK1ALDH1A1HSD17B10TP53 | |
| SCHEMBL13608769 | 0.79 | ADRB2 (0.47) | ADRB2PDPK1 | |
| SCHEMBL14294476 | 0.79 | HDAC3 (0.41) | ALDH1A1HSD17B10TP53TSHRMAPK1 | |
| SCHEMBL25232794 | 0.77 | HTR3E (0.48) | ADRB2HTR3AMIFHDAC3HDAC1 | |
| SCHEMBL14937214 | 0.77 | ESR1 (0.50) | ADRB2CA2HTR3AALDH1A1HSD17B10 | |
| SCHEMBL16212606 | 0.77 | MAOB (0.50) | ADRB2PDPK1HTR3AALDH1A1TSHR |
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-20120252747-A1 | MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | SILICON VALLEY BANK | 2012-10-04 | — | — | US | disclosed |
| US-8202843-B2 | Macrocyclic compounds and methods of making and using the same | RIB-X PHARMACEUTICALS, INC. (US) | 2012-06-19 | — | — | US | disclosed |
| US-20080045585-A1 | Macrocyclic Compounds And Methods Of Making And Using The Same | BioVersys AG (CH) | 2008-02-21 | — | — | 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 (2 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-20120252747-A1 | MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | CCNO, PTGDR, CCNE1 | ADRB2 2758/4885PDPK1 3185/4885CA2 2606/4885 |
| US-20080045585-A1 | Macrocyclic Compounds And Methods Of Making And Using The Same | VIP, PROKR1, PGC | ADRB2 4099/4885PDPK1 1913/4885CA2 3768/4885 |
“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.