Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR2 | P25025 | 3/20 | 0.67 |
| ▸ | NPC1 | O15118 | 3/20 | 0.64 |
| ▸ | RAB9A | P51151 | 3/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.64 |
| ▸ | PKM | P14618 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | GRM5 | P41594 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 2/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.58 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.57 |
| ▸ | F10 | P00742 | 1/20 | 0.49 |
| ▸ | CASP3 | P42574 | 1/20 | 0.48 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.48 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.48 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.48 |
| ▸ | GCK | P35557 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL12398726 | 0.88 | CXCR2 (0.67) | CXCR2NPC1RAB9AALDH1A1GRM5 | |
| SCHEMBL6929742 | 0.85 | GRM5 (0.58) | CXCR2NPC1RAB9ASMN1; SMN2TSHR | |
| SCHEMBL6929786 | 0.83 | CXCR2 (0.69) | CXCR2NPC1RAB9AGRM5CXCR1 | |
| SCHEMBL6929735 | 0.82 | CXCR2 (0.81) | CXCR2GRM5CXCR1 | |
| SCHEMBL6927997 | 0.81 | CXCR2 (1.00) | CXCR2MEN1KMT2ACXCR1GCK | |
| SCHEMBL6929853 | 0.80 | CXCR2 (0.63) | CXCR2NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL6929732 | 0.80 | GRM5 (0.62) | CXCR2NPC1RAB9ASMN1; SMN2GRM5 | |
| SCHEMBL12398725 | 0.79 | CXCR2 (0.70) | CXCR2ALDH1A1GRM5CXCR1 | |
| SCHEMBL3164310 | 0.79 | RAB9A (1.00) | NPC1RAB9ASMN1; SMN2ALDH1A1PKM | |
| SCHEMBL6928789 | 0.78 | GRM5 (0.82) | CXCR2GRM5CXCR1 |
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-20110183980-A1 | O-BENZYL NICOTINAMIDE ANALOGS AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2011-07-28 | — | — | US | disclosed |
| US-20110183980-A1 | O-BENZYL NICOTINAMIDE ANALOGS AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2011-07-28 | — | — | US | disclosed |
| WO-2011035324-A1 | O-BENZYL NICOTINAMIDE ANALOGS AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS | VANDERBILT UNIVERSITY (US) | 2011-03-24 | — | — | WO | 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-20110183980-A1 | O-BENZYL NICOTINAMIDE ANALOGS AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS | GRM5, GRIK5, GRM1 | CXCR2 2454/4885NPC1 1371/4885RAB9A 1383/4885 |
“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.