Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.52 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.52 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.52 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.48 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.48 |
| ▸ | MMP2 | P08253 | 1/20 | 0.47 |
| ▸ | MMP12 | P39900 | 1/20 | 0.47 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.46 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.45 |
| ▸ | CHRNA10 | Q9GZZ6 | 3/20 | 0.45 |
| ▸ | CHRNA9 | Q9UGM1 | 3/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL614578 | 0.88 | CYP1A2 (0.50) | CYP1A2FFAR1FFAR4MMP2MMP12 | |
| Hydrochloric Acid SCHEMBL31144511 | 0.86 | BLM (0.52) | CYP1A2FFAR1FFAR4MMP2MMP12 | |
| SCHEMBL5886588 | 0.86 | FFAR1 (0.53) | FFAR1FFAR4MMP2MMP12TNK2 | |
| SCHEMBL5089564 | 0.85 | NPSR1 (0.47) | CYP1A2FFAR1FFAR4MMP2MMP12 | |
| SCHEMBL8846653 | 0.84 | FFAR1 (0.51) | FFAR1FFAR4MMP2MMP12TNK2 | |
| SCHEMBL3062128 | 0.84 | FFAR1 (0.47) | FFAR1FFAR4MMP2MMP12TNK2 | |
| SCHEMBL9249328 | 0.84 | FFAR1 (0.43) | FFAR1FFAR4MMP2MMP12TNK2 | |
| SCHEMBL20152456 | 0.84 | TSHR (0.56) | FFAR1FFAR4MMP2MMP12TNK2 | |
| SCHEMBL9247329 | 0.84 | KCNH2 (0.51) | FFAR1FFAR4MMP2MMP12TNK2 | |
| SCHEMBL5314931 | 0.82 | FFAR1 (0.55) | CYP1A2FFAR1FFAR4MMP2MMP12 |
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-7105707-B2 | Process for preparing alkynyl-substituted aromatic and heterocyclic compounds | PHARMACORE, INC. (US) | 2006-09-12 | — | — | US | disclosed |
| US-20050137402-A1 | Process for preparing alkynyl-substituted aromatic and heterocyclic compounds | DSM N.V. (NL) | 2005-06-23 | — | — | 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-20050137402-A1 | Process for preparing alkynyl-substituted aromatic and heterocyclic compounds | NAT1, B3GNT2, NISCH | CYP1A2 481/4885CYP1A1 301/4885CYP1B1 483/4885 |
“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.