Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.50 |
| ▸ | TUBB | P07437 | 1/20 | 0.50 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.50 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.50 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.50 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.50 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.50 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.50 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.50 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.50 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.50 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.50 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.50 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.50 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.50 |
| ▸ | ABCG2 | Q9UNQ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL8986209 | 0.85 | APP (0.47) | APP | |
| SCHEMBL9546916 | 0.82 | PTGS1 (0.69) | PTGS1PTGS2MEN1KMT2ATUBB4A | |
| SCHEMBL12377086 | 0.81 | TLR4 (0.50) | KMT2ANPC1LMNARAB9ANPSR1 | |
| SCHEMBL23159272 | 0.79 | PTGS1 (0.58) | PTGS1PTGS2MEN1KMT2ATUBB4A | |
| SCHEMBL18354321 | 0.77 | PTGS1 (0.58) | PTGS1PTGS2MEN1KMT2ATUBB4A | |
| SCHEMBL31618950 | 0.77 | PTGS1 (0.55) | PTGS1PTGS2MEN1KMT2ATUBB4A | |
| SCHEMBL11749634 | 0.76 | GSK3B (0.58) | PTGS1PTGS2ABCG2NPC1LMNA | |
| SCHEMBL11749626 | 0.76 | GSK3B (0.58) | PTGS1PTGS2ABCG2NPC1LMNA | |
| SCHEMBL6201488 | 0.75 | PTGS1 (0.57) | PTGS1PTGS2MEN1KMT2ATUBB4A | |
| SCHEMBL6201486 | 0.75 | PTGS1 (0.57) | PTGS1PTGS2MEN1KMT2ATUBB4A |
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-8008440-B2 | Combinatorial synthesis of libraries of macrocyclic compounds useful in drug discovery | TRANZYME PHARMA INC. (CA) | 2011-08-30 | — | — | US | disclosed |
| US-20070117154-A1 | Cyclic lactams comprising three amino acids and a tether chain to control the overall shape of the macromolecule; beta-turn mimetics to explore conformationally restricted structures; proteolytic enzyme resistance (nonhydrolyzing); cell penetration; anticoagulants; anticarcinogenic agents | MALLINCKRODT PHARMACEUTICALS IRELAND LIMITED (IE) | 2007-05-24 | — | — | 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-20070117154-A1 | Cyclic lactams comprising three amino acids and a tether chain to control the overall shape of the macromolecule; beta-turn mimetics to explore conformationally restricted structures; proteolytic enzyme resistance (nonhydrolyzing); cell penetration; anticoagulants; anticarcinogenic agents | F2, BCAT1, DAO | PTGS1 2793/4885PTGS2 2326/4885MEN1 1329/4885 |
“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.