Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Propynal. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 3/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Propynal SCHEMBL3631191 | 0.86 | — | — | |
| Acetic Acid SCHEMBL6113 | 0.76 | — | — | |
| Acetic Acid SCHEMBL27432872 | 0.76 | FFAR3 (0.64) | FFAR3LCKFYNHDAC3HDAC1 | |
| Acetic Acid SCHEMBL6290880 | 0.76 | FFAR3 (0.64) | FFAR3LCKFYNHDAC3HDAC1 | |
| Acetic Acid SCHEMBL6517807 | 0.76 | FFAR3 (0.64) | FFAR3LCKFYNHDAC3HDAC1 | |
| Acetic Acid SCHEMBL10590923 | 0.76 | FFAR3 (0.64) | FFAR3LCKFYNHDAC3HDAC1 | |
| Propynal SCHEMBL2123207 | 0.73 | CA2 (0.50) | HDAC1HDAC2TDP1 | |
| Acetic Acid SCHEMBL6910854 | 0.73 | — | — | |
| Acetic Acid SCHEMBL20943720 | 0.73 | FFAR3 (0.58) | FFAR3LCKFYNHDAC3HDAC1 | |
| Acetic Acid SCHEMBL7519202 | 0.73 | — | — |
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-8586606-B2 | Heterocyclic compounds with affinity to muscarinic receptors | ABBVIE B.V. (NL) | 2013-11-19 | — | — | US | disclosed |
| US-20120095039-A1 | HETEROCYCLIC COMPOUNDS WITH AFFINITY TO MUSCARINIC RECEPTORS | SOLVAY PHARMACEUTICALS B.V. | 2012-04-19 | — | — | 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-20120095039-A1 | HETEROCYCLIC COMPOUNDS WITH AFFINITY TO MUSCARINIC RECEPTORS | CHRM3, CHRM5, CHRM2 | FFAR3 174/4885LCK 998/4885FYN 1371/4885 |
“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.