Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.41 |
| ▸ | NPBWR1 | P48145 | 7/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | ACP1 | P24666 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | BUB1 | O43683 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18723709 | 0.89 | AKR1C3 (0.40) | AKR1C3NPBWR1FAAHMGLLKDM4E | |
| SCHEMBL17366562 | 0.85 | ACP1 (0.42) | NPBWR1ACP1PIK3CAALDH1A1SMN1; SMN2 | |
| SCHEMBL15556723 | 0.83 | PIK3CA (0.36) | NPBWR1ACP1PIK3CAKDM4EALDH1A1 | |
| SCHEMBL16471323 | 0.83 | AKR1C3 (0.42) | AKR1C3NPBWR1PIK3CASMN1; SMN2 | |
| SCHEMBL16023894 | 0.81 | SMN1; SMN2 (0.38) | NPBWR1ACP1ALDH1A1SMN1; SMN2ADORA2A | |
| SCHEMBL15606458 | 0.79 | GALR2 (0.47) | CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL15555010 | 0.78 | ACHE (0.43) | AKR1C3KDM4E | |
| SCHEMBL15606470 | 0.77 | NPBWR1 (0.39) | AKR1C3NPBWR1ACP1PIK3CASMN1; SMN2 | |
| SCHEMBL17403441 | 0.76 | ACP1 (0.44) | ACP1ALDH1A1SMN1; SMN2ADORA2ABUB1 | |
| SCHEMBL18856862 | 0.76 | GALR2 (0.44) | CYP1A2CYP3A4CYP2C9 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2948440-B1 | ANTIVIRAL TRIAZOLE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2017-04-12 | — | — | EP | disclosed |
| US-9511059-B2 | Antiviral compounds | HOFFMANN-LA ROCHE INC. (US) | 2016-12-06 | — | — | US | disclosed |
| US-9511059-B2 | Antiviral compounds | HOFFMANN-LA ROCHE INC. (US) | 2016-12-06 | — | — | US | disclosed |
| US-9511059-B2 | Antiviral compounds | HOFFMANN-LA ROCHE INC. (US) | 2016-12-06 | — | — | US | disclosed |
| US-20150353511-A1 | ANTIVIRAL COMPOUNDS | HOFFMANN-LA ROCHE INC. | 2015-12-10 | — | — | US | disclosed |
| US-20150353511-A1 | ANTIVIRAL COMPOUNDS | HOFFMANN-LA ROCHE INC. | 2015-12-10 | — | — | US | disclosed |
| US-20150353511-A1 | ANTIVIRAL COMPOUNDS | HOFFMANN-LA ROCHE INC. | 2015-12-10 | — | — | US | disclosed |
| EP-2948440-A1 | ANTIVIRAL TRIAZOLE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2015-12-02 | — | — | EP | disclosed |
| US-20140242028-A1 | ANTIVIRAL COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 2014-08-28 | — | — | US | disclosed |
| US-20140242028-A1 | ANTIVIRAL COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 2014-08-28 | — | — | US | disclosed |
| US-20140242028-A1 | ANTIVIRAL COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 2014-08-28 | — | — | US | disclosed |
| WO-2014114573-A1 | ANTIVIRAL TRIAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2014-07-31 | — | — | WO | disclosed |
| WO-2014114573-A1 | ANTIVIRAL TRIAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2014-07-31 | — | — | 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-20140242028-A1 | ANTIVIRAL COMPOUNDS | HAVCR2, EIF2AK2, MAVS | AKR1C3 2183/4885NPBWR1 4185/4885FAAH 2969/4885 |
| US-20150353511-A1 | ANTIVIRAL COMPOUNDS | HAVCR2, EIF2AK2, MAVS | AKR1C3 2183/4885NPBWR1 4185/4885FAAH 2969/4885 |
“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.