Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | PDE8B | O95263 | 2/20 | 0.40 |
| ▸ | APLNR | P35414 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL15556570 | 0.88 | ALDH1A1 (0.44) | ALDH1A1ADORA2ACYP2D6CYP1A2CYP3A4 | |
| SCHEMBL18856594 | 0.84 | NPBWR1 (0.43) | ALDH1A1ADORA2ACYP2D6CYP1A2CYP3A4 | |
| SCHEMBL15983823 | 0.83 | ALDH1A1 (0.40) | ALDH1A1ADORA2ACYP2D6CYP1A2CYP3A4 | |
| SCHEMBL18723713 | 0.82 | ALDH1A1 (0.42) | ALDH1A1ADORA2ACYP2D6CYP1A2CYP3A4 | |
| SCHEMBL16023965 | 0.81 | ALDH1A1 (0.41) | ALDH1A1ADORA2AAPLNRSMN1; SMN2HTT | |
| SCHEMBL16014406 | 0.79 | MAPT (0.46) | ALDH1A1ADORA2AAPLNRSMN1; SMN2HTT | |
| SCHEMBL16014490 | 0.79 | CYP2D6 (0.47) | ALDH1A1ADORA2ACYP2D6CYP1A2CYP3A4 | |
| SCHEMBL17403441 | 0.77 | ACP1 (0.44) | ALDH1A1ADORA2ASMN1; SMN2NPSR1LMNA | |
| SCHEMBL16023894 | 0.76 | SMN1; SMN2 (0.38) | ALDH1A1ADORA2ASMN1; SMN2MAPTNPBWR1 | |
| SCHEMBL20194918 | 0.74 | CYP2D6 (0.47) | ALDH1A1ADORA2ACYP2D6CYP1A2CYP3A4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2964626-A1 | ANTIVIRAL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2016-01-13 | — | — | EP | disclosed |
| US-20160002180-A1 | ANTIVIRAL COMPOUNDS | HOFFMANN LA ROCHE (US) | 2016-01-07 | — | — | US | disclosed |
| US-20160002180-A1 | ANTIVIRAL COMPOUNDS | HOFFMANN LA ROCHE (US) | 2016-01-07 | — | — | US | disclosed |
| US-20160002180-A1 | ANTIVIRAL COMPOUNDS | HOFFMANN LA ROCHE (US) | 2016-01-07 | — | — | US | disclosed |
| WO-2014135472-A1 | ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2014-09-12 | — | — | 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-20160002180-A1 | ANTIVIRAL COMPOUNDS | HAVCR2, EIF2AK2, MAVS | ALDH1A1 204/4885ADORA2A 1473/4885CYP2D6 473/4885 |
“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.