Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1B | P28222 | 2/20 | 0.60 |
| ▸ | HTR1D | P28221 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.59 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | RARB | P10826 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL5583851 | 0.85 | CYP2D6 (0.76) | CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL9151170 | 0.85 | CYP2D6 (0.76) | CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL8986200 | 0.85 | HTR1B (0.56) | HTR1BHTR1DCYP2D6CYP3A4LMNA | |
| SCHEMBL23067891 | 0.85 | HTR1B (0.78) | HTR1BHTR1DCYP19A1HTTL3MBTL1 | |
| SCHEMBL20172578 | 0.84 | HTR1B (0.55) | HTR1BHTR1DCYP2D6CYP3A4CYP1A2 | |
| SCHEMBL10022022 | 0.81 | CYP2D6 (0.70) | CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL28780750 | 0.81 | CYP2D6 (0.70) | CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL6905782 | 0.81 | CYP2D6 (0.70) | CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19 | |
| Tetradecane SCHEMBL29054434 | 0.80 | HTR1B (0.76) | HTR1BHTR1DCYP3A4LMNAHTT | |
| SCHEMBL9155028 | 0.79 | RARB (0.71) | CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19 |
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 | HTR1B 3883/4885HTR1D 4553/4885CYP2D6 799/4885 |
“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.