Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 3/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.50 |
| ▸ | HTR1B | P28222 | 2/20 | 0.46 |
| ▸ | PPARD | Q03181 | 1/20 | 0.46 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.44 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.44 |
| ▸ | HTR1D | P28221 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2909676 | 0.90 | HRH1 (0.55) | HRH1L3MBTL1TP53CYP1A2CYP3A4 | |
| SCHEMBL24712708 | 0.87 | HRH1 (0.55) | HRH1L3MBTL1TP53CYP1A2CYP3A4 | |
| SCHEMBL8986167 | 0.86 | HRH1 (0.59) | HRH1L3MBTL1TP53CYP1A2CYP3A4 | |
| SCHEMBL2910225 | 0.85 | HRH1 (0.58) | HRH1L3MBTL1TP53CYP1A2CYP3A4 | |
| SCHEMBL73826 | 0.84 | CYP1A2 (0.52) | L3MBTL1CYP1A2CYP2C9PPARDMAPT | |
| SCHEMBL10150312 | 0.83 | ALOX5 (0.51) | L3MBTL1CYP1A2CYP2C9PPARDMAPT | |
| SCHEMBL11717347 | 0.81 | THRA (0.54) | L3MBTL1CYP1A2CYP3A4CYP2C9LMNA | |
| SCHEMBL19289404 | 0.81 | THRA (0.54) | L3MBTL1CYP1A2CYP3A4CYP2C9LMNA | |
| SCHEMBL74512 | 0.81 | PPARD (0.54) | L3MBTL1CYP1A2CYP2C9SLC6A4PPARD | |
| SCHEMBL9241990 | 0.80 | HRH1 (0.60) | HRH1L3MBTL1TP53CYP1A2CYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9409945-B2 | Combinatorial synthesis of libraries of macrocyclic compounds useful in drug discovery | OCERA THERAPEUTICS, INC. (US) | 2016-08-09 | — | — | US | disclosed |
| US-20150315235-A1 | Combinatorial Synthesis of Libraries of Macrocyclic Compounds Useful in Drug Discovery | MALLINCKRODT ENTERPRISES HOLDINGS LLC (F/K/A MALLINCKRODT ENTERPRISES HOLDINGS, INC.) | 2015-11-05 | — | — | US | disclosed |
| 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 (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-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 | HRH1 3782/4885L3MBTL1 1819/4885TP53 3173/4885 |
| US-20150315235-A1 | Combinatorial Synthesis of Libraries of Macrocyclic Compounds Useful in Drug Discovery | COASY, SCO2, CCNO | HRH1 3384/4885L3MBTL1 2306/4885TP53 2476/4885 |
“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.