Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 3/20 | 0.50 |
| ▸ | TLR2 | O60603 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8986180 | 0.87 | TLR4 (0.43) | TLR4TLR2ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL73717 | 0.84 | TLR4 (0.55) | TLR4TLR2ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL12377088 | 0.81 | PTGS1 (0.51) | KMT2ANPSR1LMNANPC1RAB9A | |
| SCHEMBL10475476 | 0.81 | NFE2L2 (0.58) | CHRM2CHRM1CHRM3NFE2L2 | |
| SCHEMBL7541618 | 0.80 | LCK (0.58) | TLR4TLR2ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL7541623 | 0.80 | LCK (0.58) | TLR4TLR2ALDH1A1SMN1; SMN2KDM4E | |
| Dimethylamine SCHEMBL4375978 | 0.77 | TLR4 (0.47) | TLR4TLR2ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL11563909 | 0.77 | TSHR (0.51) | TLR4TLR2KMT2ATSHRNR1H4 | |
| SCHEMBL59487 | 0.76 | KMT2A (0.51) | TLR4TLR2ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL6339806 | 0.76 | CCNB2 (0.62) | TLR4TLR2ALDH1A1SMN1; SMN2KDM4E |
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 | TLR4 3090/4885TLR2 2491/4885ALDH1A1 3793/4885 |
“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.