Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | SIGMAR1 | Q99720 | 11/20 | 0.53 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.47 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.46 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.41 |
| ▸ | PNMT | P11086 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | NR1I3 | Q14994 | 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 | |
|---|---|---|---|---|
| SCHEMBL3576422 | 0.94 | CYP1A2 (0.52) | CYP1A2CYP2D6CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL5177159 | 0.94 | CYP2D6 (0.52) | CYP1A2CYP2D6CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL3577596 | 0.83 | CA12 (0.54) | CYP1A2CYP2D6CYP2C19TAAR1 | |
| SCHEMBL3940149 | 0.78 | CYP1A2 (0.60) | CYP1A2CYP2D6CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL3573452 | 0.78 | CA12 (0.51) | TAAR1 | |
| SCHEMBL9958082 | 0.77 | L3MBTL1 (0.61) | CYP1A2CYP2D6CYP2C9CYP2C19TAAR1 | |
| SCHEMBL3243483 | 0.75 | NR1I3 (0.56) | CYP1A2CYP2D6CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL3390640 | 0.75 | CYP1A2 (0.56) | CYP1A2CYP2D6CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL3569059 | 0.74 | KDM4E (0.52) | ROCK1TAAR1 | |
| SCHEMBL5177540 | 0.74 | JAK2 (0.39) | CYP1A2CYP2D6CYP2C19 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1984322-B1 | BENZAMIDE AND HETEROARENE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2012-09-26 | — | — | EP | disclosed |
| US-7745477-B2 | Heteroaryl and benzyl amide compounds | HOFFMAN-LA ROCHE INC. (US) | 2010-06-29 | — | — | US | disclosed |
| EP-1984322-A1 | BENZAMIDE AND HETEROARENE DERIVATIVES | F. Hoffmann-la Roche AG (CH) | 2008-10-29 | — | — | EP | disclosed |
| US-7259183-B2 | Indole, indazole and indoline derivatives as CETP inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2007-08-21 | — | — | US | disclosed |
| WO-2007090748-A1 | BENZAMIDE AND HETEROARENE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2007-08-16 | — | — | WO | disclosed |
| US-20070185058-A1 | Heteroaryl and benzyl amide compounds | HOFFMANN-LA ROCHE INC. | 2007-08-09 | — | — | US | disclosed |
| EP-1776338-A1 | INDOLE, INDAZOLE OR INDOLINE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2007-04-25 | — | — | EP | disclosed |
| US-20060030613-A1 | Indole, indazole and indoline derivatives as CETP inhibitors | F. HOFFMANN-LA ROCHE AG (CH) | 2006-02-09 | — | — | US | disclosed |
| WO-2006013048-A1 | INDOLE, INDAZOLE OR INDOLINE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2006-02-09 | — | — | 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 (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-20060030613-A1 | Indole, indazole and indoline derivatives as CETP inhibitors | CETP, NAT1, MTTP | CYP1A2 156/4885CYP2D6 469/4885CYP2C9 328/4885 |
| US-20070185058-A1 | Heteroaryl and benzyl amide compounds | CYP1B1, CYP4B1, ABCG2 | CYP1A2 15/4885CYP2D6 9/4885CYP2C9 4/4885 |
“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.