Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.51 |
| ▸ | CNR2 | P34972 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | JAK2 | O60674 | 1/20 | 0.46 |
| ▸ | JAK1 | P23458 | 1/20 | 0.46 |
| ▸ | JAK3 | P52333 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7453238 | 1.00 | HDAC1 (0.51) | HDAC1HDAC6CNR2KDM4EALDH1A1 | |
| SCHEMBL17865784 | 0.84 | CNR2 (0.57) | CNR2KDM4EALDH1A1HPGDCYP1A2 | |
| SCHEMBL7452804 | 0.83 | KDM4E (0.49) | CNR2KDM4EALDH1A1HPGDCYP1A2 | |
| SCHEMBL9988723 | 0.83 | KDM4E (0.49) | CNR2KDM4EALDH1A1HPGDCYP1A2 | |
| SCHEMBL7458204 | 0.82 | KDM4E (0.48) | CNR2KDM4EALDH1A1HPGDCYP1A2 | |
| SCHEMBL9990244 | 0.82 | KDM4E (0.48) | CNR2KDM4EALDH1A1HPGDCYP1A2 | |
| SCHEMBL21489815 | 0.81 | SMYD3 (0.67) | — | |
| SCHEMBL19710485 | 0.81 | SMYD3 (0.67) | — | |
| SCHEMBL5429490 | 0.81 | HDAC1 (0.66) | HDAC1HDAC6KDM4EALDH1A1HPGD | |
| SCHEMBL5429612 | 0.80 | NPC1 (0.65) | HDAC1HDAC6ALDH1A1HPGDCYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8969389-B2 | Substituted 6-methylnicotinamides as mGluR5 positive allosteric modulators | VANDERBILT UNIVERSITY (US) | 2015-03-03 | — | — | US | disclosed |
| CN-103037693-A | Substituted-6-methylnicotinamides as MGLUR5 positive allosteric modulators | UNIV VANDERBILT | 2013-04-10 | — | — | CN | disclosed |
| US-20110294858-A1 | SUBSTITUTED 6-METHYLNICOTINAMIDES AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS | NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR | 2011-12-01 | — | — | 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-20110294858-A1 | SUBSTITUTED 6-METHYLNICOTINAMIDES AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS | GRM5, GRIK5, GRM6 | HDAC1 1037/4885HDAC6 787/4885CNR2 323/4885 |
“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.