Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.40 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.40 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 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 | |
|---|---|---|---|---|
| SCHEMBL411484 | 0.87 | KMO (0.47) | MAPTSMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL440973 | 0.85 | MRGPRX4 (0.41) | MAPTSMN1; SMN2NPC1RAB9AL3MBTL1 | |
| SCHEMBL411006 | 0.84 | CNR1 (0.51) | CNR1SLC6A3 | |
| SCHEMBL411014 | 0.80 | MAPT (0.44) | MAPTSMN1; SMN2NPC1RAB9AL3MBTL1 | |
| SCHEMBL444452 | 0.79 | RORC (0.39) | MAPTSMN1; SMN2NPC1RAB9AL3MBTL1 | |
| SCHEMBL412129 | 0.79 | RORC (0.39) | MAPTSMN1; SMN2NPC1RAB9AL3MBTL1 | |
| SCHEMBL28988563 | 0.75 | LMNA (0.45) | MAPTSMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL25551995 | 0.74 | ALDH1A1 (0.60) | MAPTSMN1; SMN2NPC1ALDH1A1GABRA5 | |
| SCHEMBL411960 | 0.73 | SLC6A3 (0.41) | MAPTKDM4EPKMKMT2AMEN1 | |
| SCHEMBL30881476 | 0.72 | MAP2K4 (0.52) | MAPTSMN1; SMN2NPC1RAB9AL3MBTL1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9090599-B2 | Heteroarylmethyl amides | HOFFMANN-LA ROCHE INC. (US) | 2015-07-28 | — | — | US | disclosed |
| US-20140194436-A1 | HETEROARYLMETHYL AMIDES | HOFFMANN-LA ROCHE INC. (US) | 2014-07-10 | — | — | US | disclosed |
| US-8729105-B2 | Heteroarylmethyl amides | HOFFMANN LA-ROCHE INC. (US) | 2014-05-20 | — | — | US | disclosed |
| US-20120065212-A1 | HETEROARYLMETHYL AMIDES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-03-15 | — | — | 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 (2 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-20140194436-A1 | HETEROARYLMETHYL AMIDES | APOB, LDLR, HMGCR | GRM5 3048/4885MAPT 4619/4885SMN1; SMN2 4004/4885 |
| US-20120065212-A1 | HETEROARYLMETHYL AMIDES | APOB, LDLR, HMGCR | GRM5 3048/4885MAPT 4619/4885SMN1; SMN2 4004/4885 |
“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.