Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.40 |
| ▸ | RELA | Q04206 | 2/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.36 |
| ▸ | HMOX1 | P09601 | 1/20 | 0.36 |
| ▸ | ACACB | O00763 | 3/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.34 |
| ▸ | AKT2 | P31751 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6886365 | 1.00 | NPC1 (0.40) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL17698440 | 0.80 | ACACB (0.46) | ACACB | |
| SCHEMBL1642513 | 0.80 | ACACB (0.46) | ACACB | |
| SCHEMBL1642516 | 0.80 | ACACB (0.46) | ACACB | |
| Hydrochloric Acid SCHEMBL2775494 | 0.79 | HRH1 (0.54) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL21192324 | 0.78 | GSK3B (0.36) | PIM1ACACB | |
| SCHEMBL718087 | 0.78 | GSK3B (0.36) | PIM1ACACB | |
| SCHEMBL16039453 | 0.77 | EPHX2 (0.39) | PIM1EPHX2 | |
| SCHEMBL16039942 | 0.77 | EPHX2 (0.39) | PIM1EPHX2 | |
| SCHEMBL719101 | 0.77 | EPHX2 (0.39) | PIM1EPHX2 |
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-8389536-B2 | Positive allosteric modulators (PAM) | HOFFMANN-LA ROCHE INC. (US) | 2013-03-05 | — | — | US | disclosed |
| US-20110098313-A1 | POSITIVE ALLOSTERIC MODULATORS (PAM) | HOFFMANN-LA ROCHE, INC. | 2011-04-28 | — | — | 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-20110098313-A1 | POSITIVE ALLOSTERIC MODULATORS (PAM) | GRM5, GRM1, GRM2 | NPC1 3414/4885RAB9A 2271/4885SMN1; SMN2 3467/4885 |
“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.