Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | ACACB | O00763 | 1/20 | 0.39 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MME | P08473 | 1/20 | 0.38 |
| ▸ | ACE | P12821 | 1/20 | 0.38 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.37 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.37 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10061085 | 1.00 | ATM (0.43) | ATML3MBTL1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL26417010 | 1.00 | ATM (0.43) | ATML3MBTL1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL12250719 | 0.87 | ESR1 (0.46) | SMN1; SMN2KMT2AMMEACEACE2 | |
| SCHEMBL13630710 | 0.87 | ESR1 (0.46) | SMN1; SMN2KMT2AMMEACEACE2 | |
| SCHEMBL12250708 | 0.87 | ESR1 (0.46) | SMN1; SMN2KMT2AMMEACEACE2 | |
| SCHEMBL23065772 | 0.86 | HDAC1 (0.45) | NPC1RAB9ASMN1; SMN2ACACBKMT2A | |
| SCHEMBL23974737 | 0.86 | LOXL2 (0.40) | SMN1; SMN2CYP24A1MMEACEACE2 | |
| SCHEMBL14011032 | 0.86 | NOS2 (0.45) | HPGDACEUSP30 | |
| SCHEMBL12250727 | 0.86 | NOS2 (0.45) | HPGDACEUSP30 | |
| SCHEMBL25454926 | 0.86 | CA2 (0.39) | NPC1RAB9ACYP24A1MMEACE |
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-8440851-B2 | Spatially-defined macrocyclic compounds useful for drug discovery | TRANZYME PHARMA, INC. (CA) | 2013-05-14 | — | — | US | disclosed |
| US-20110237785-A1 | SPATIALLY-DEFINED MACROCYCLIC COMPOUNDS USEFUL FOR DRUG DISCOVERY | MALLINCKRODT CARRIBEAN, INC. | 2011-09-29 | — | — | 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-20110237785-A1 | SPATIALLY-DEFINED MACROCYCLIC COMPOUNDS USEFUL FOR DRUG DISCOVERY | MLNR, GIPR, CCKAR | ATM 4637/4885L3MBTL1 3726/4885NPC1 1485/4885 |
“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.