Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 8/20 | 0.50 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.48 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.48 |
| ▸ | NR1I3 | Q14994 | 4/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | PNMT | P11086 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3243483 | 0.87 | NR1I3 (0.56) | CYP1A2CYP2D6CYP2C9CYP2C19SIGMAR1 | |
| Hydrochloric Acid SCHEMBL3950184 | 0.86 | CYP1A2 (0.58) | CYP1A2CYP2D6CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL44108 | 0.80 | CA1 (0.53) | CYP1A2CYP2D6CYP2C9CYP2C19NR1I3 | |
| SCHEMBL3940149 | 0.79 | CYP1A2 (0.60) | CYP1A2CYP2D6CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL5176124 | 0.79 | TRPV1 (0.62) | CYP1A2CYP2D6CYP2C19CA1CA2 | |
| SCHEMBL3572442 | 0.79 | CYP1A2 (0.57) | CYP1A2CYP2D6CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL4162397 | 0.79 | NR1I3 (0.49) | CYP1A2CYP2D6CYP2C9CYP2C19SIGMAR1 | |
| Hydrochloric Acid SCHEMBL43628 | 0.78 | CA1 (0.52) | CYP1A2CYP2D6CYP2C9CYP2C19NR1I3 | |
| Hydrochloric Acid SCHEMBL4161721 | 0.78 | CYP1A2 (0.49) | CYP1A2CYP2D6CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL5175544 | 0.78 | NR1I3 (0.51) | CYP1A2CYP2D6CYP2C9CYP2C19SIGMAR1 |
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-7259183-B2 | Indole, indazole and indoline derivatives as CETP inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2007-08-21 | — | — | 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 (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-20060030613-A1 | Indole, indazole and indoline derivatives as CETP inhibitors | CETP, NAT1, MTTP | CYP1A2 156/4885CYP2D6 469/4885CYP2C9 328/4885 |
“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.