Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.41 |
| ▸ | ESRRB | O95718 | 1/20 | 0.39 |
| ▸ | ESRRG | P62508 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.39 |
| ▸ | ANPEP | P15144 | 1/20 | 0.39 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
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 | 0.85 | NR1I3 (0.56) | CA1CA2NR1I3KCNH2TMEM97 | |
| Hydrochloric Acid SCHEMBL3950184 | 0.83 | CYP1A2 (0.58) | CA1CA2NR1I3KCNH2TMEM97 | |
| SCHEMBL3947879 | 0.81 | CA1 (0.51) | CA1CA2NR1I3KCNH2TMEM97 | |
| SCHEMBL3231014 | 0.81 | CA1 (0.54) | CA1CA2NR1I3KCNH2TMEM97 | |
| SCHEMBL44108 | 0.80 | CA1 (0.53) | CA1CA2NR1I3CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL3944196 | 0.80 | CYP1A2 (0.51) | CA1CA2NR1I3KCNH2TMEM97 | |
| Hydrochloric Acid SCHEMBL43628 | 0.79 | CA1 (0.52) | CA1CA2NR1I3CYP1A2CYP2D6 | |
| SCHEMBL3272738 | 0.79 | CA1 (0.49) | CA1CA2NR1I3KCNH2TMEM97 | |
| SCHEMBL3276787 | 0.78 | CA1 (0.51) | CA1CA2NR1I3KCNH2TMEM97 | |
| SCHEMBL20902780 | 0.78 | CA1 (0.71) | CA1CA2KCNH2GRIA4ESRRB |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| US-20070185058-A1 | Heteroaryl and benzyl amide compounds | HOFFMANN-LA ROCHE INC. | 2007-08-09 | — | — | 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-20070185058-A1 | Heteroaryl and benzyl amide compounds | CYP1B1, CYP4B1, ABCG2 | CA1 4780/4885CA2 3882/4885NR1I3 583/4885 |
“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.