Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | TYMS | P04818 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.35 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | FLT3 | P36888 | 1/20 | 0.34 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.34 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 2/20 | 0.33 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL166004 | 0.81 | ENPP3 (0.37) | BACE1TYMSENPP3ENPP1CYP1A2 | |
| SCHEMBL30225279 | 0.81 | ENPP3 (0.37) | BACE1TYMSENPP3ENPP1CYP1A2 | |
| SCHEMBL31729412 | 0.78 | ALDH1A1 (0.42) | BACE1KDM4EENPP3ENPP1NR4A2 | |
| SCHEMBL2172222 | 0.78 | ALDH1A1 (0.42) | BACE1KDM4EENPP3ENPP1NR4A2 | |
| SCHEMBL31728729 | 0.74 | PARP1 (0.35) | BACE1HTTTYMSENPP3ENPP1 | |
| SCHEMBL160724 | 0.74 | NR1I3 (0.41) | KDM4ECYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL23860797 | 0.72 | F12 (0.47) | BACE1KDM4EMAP4K4CYP1A2CYP3A4 | |
| SCHEMBL7977700 | 0.71 | ALDH1A1 (0.49) | BACE1KDM4EMAP4K4ALDH1A1 | |
| SCHEMBL558306 | 0.70 | HTT (0.46) | BACE1HTTTYMSKDM4EENPP3 | |
| SCHEMBL29663394 | 0.70 | HTT (0.46) | BACE1HTTTYMSKDM4EENPP3 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107428693-B | Isoquinoline compounds for HIV treatment | 吉利德科学公司 | 2020-05-29 | — | — | CN | disclosed |
| EP-3237397-B1 | ISOQUINOLINE COMPOUNDS FOR THE TREATMENT OF HIV | GILEAD SCIENCES INC (US) | 2018-11-21 | — | — | EP | disclosed |
| EP-3237397-A1 | ISOQUINOLINE COMPOUNDS FOR THE TREATMENT OF HIV | Gilead Sciences, Inc. (US) | 2017-11-01 | — | — | EP | disclosed |
| US-9624195-B2 | Isoquinoline compounds | GILEAD SCIENCES, INC. (US) | 2017-04-18 | — | — | US | disclosed |
| US-9624195-B2 | Isoquinoline compounds | GILEAD SCIENCES, INC. (US) | 2017-04-18 | — | — | US | disclosed |
| US-9624195-B2 | Isoquinoline compounds | GILEAD SCIENCES, INC. (US) | 2017-04-18 | — | — | US | disclosed |
| US-20160237062-A1 | Isoquinoline Compounds | GILEAD SCIENCES, INC. | 2016-08-18 | — | — | US | disclosed |
| US-20160237062-A1 | Isoquinoline Compounds | GILEAD SCIENCES, INC. | 2016-08-18 | — | — | US | disclosed |
| US-20160237062-A1 | Isoquinoline Compounds | GILEAD SCIENCES, INC. | 2016-08-18 | — | — | US | disclosed |
| WO-2016105534-A1 | ISOQUINOLINE COMPOUNDS FOR THE TREATMENT OF HIV | GILEAD SCIENCES, INC. (US) | 2016-06-30 | — | — | WO | disclosed |
| WO-2016105534-A1 | ISOQUINOLINE COMPOUNDS FOR THE TREATMENT OF HIV | GILEAD SCIENCES, INC. (US) | 2016-06-30 | — | — | 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-20160237062-A1 | Isoquinoline Compounds | MAPT, SDHA, COQ8A | BACE1 478/4885HTT 194/4885TYMS 791/4885 |
“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.