Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.64 |
| ▸ | HTT | P42858 | 1/20 | 0.62 |
| ▸ | ACHE | P22303 | 3/20 | 0.58 |
| ▸ | BACE1 | P56817 | 2/20 | 0.58 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.57 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.54 |
| ▸ | CLK4 | Q9HAZ1 | 8/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 7/20 | 0.54 |
| ▸ | LMNA | P02545 | 6/20 | 0.54 |
| ▸ | USP2 | O75604 | 5/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.54 |
| ▸ | MEN1 | O00255 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL3366636 | 0.90 | ACHE (0.58) | EIF2AK2HTTACHEBACE1HRH4 | |
| SCHEMBL2913027 | 0.85 | HTT (0.62) | HTTACHEBACE1PDGFRBCYP3A4 | |
| SCHEMBL2799673 | 0.80 | ALDH1A1 (0.59) | EIF2AK2ACHEBACE1PDGFRBALDH1A1 | |
| SCHEMBL6178930 | 0.80 | HRH4 (0.57) | EIF2AK2ACHEHRH4ALDH1A1LMNA | |
| SCHEMBL7467872 | 0.80 | EIF2AK2 (0.55) | EIF2AK2HTTACHEHRH4CYP3A4 | |
| SCHEMBL11720346 | 0.79 | RHOA (0.63) | EIF2AK2ACHEHRH4ALDH1A1LMNA | |
| SCHEMBL22911861 | 0.77 | ACHE (0.56) | HTTACHEBACE1PDGFRBALDH1A1 | |
| SCHEMBL4349956 | 0.77 | HTT (1.00) | HTTACHEBACE1HRH4CYP3A4 | |
| SCHEMBL3956127 | 0.77 | HTT (0.70) | HTTACHEBACE1HRH4CYP3A4 | |
| SCHEMBL2882262 | 0.76 | HTT (0.65) | HTTACHEBACE1HRH4CYP3A4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050239797-A1 | Isoquinoline and quinazoline derivatives having a combined 5HT1A, 5HT1B, and 5HT1D receptor activity | SMITHKLINE BEECHAM, PLC | 2005-10-27 | — | — | US | disclosed |
| EP-1228043-B1 | ISOQUINOLINE AND QUINAZOLINE DEIVATIVES HAVING A COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ACTIVITY | SMITHKLINE BEECHAM PLC (GB) | 2005-01-12 | — | — | EP | disclosed |
| EP-1228043-A1 | ISOQUINOLINE AND QUINAZOLINE DEIVATIVES HAVING A COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ACTIVITY | SMITHKLINE BEECHAM PLC (GB) | 2002-08-07 | — | — | EP | disclosed |
| EP-1228066-A2 | SULFONAMIDE DERIVATIVES | SMITHKLINE BEECHAM PLC (GB) | 2002-08-07 | — | — | EP | disclosed |
| WO-2001032646-A2 | SULFONAMIDE DERIVATIVES | SMITHKLINE BEECHAM P.L.C. (GB) | 2001-05-10 | — | — | WO | disclosed |
| WO-2001032626-A1 | ISOQUINOLINE AND QUINAZOLINE DERIVATIVES HAVING A COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ACTIVITY | SMITHKLINE BEECHAM P.L.C. (GB) | 2001-05-10 | — | — | 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-20050239797-A1 | Isoquinoline and quinazoline derivatives having a combined 5HT1A, 5HT1B, and 5HT1D receptor activity | HTR1B, HTR1A, HTR1D | EIF2AK2 1348/4885HTT 286/4885ACHE 290/4885 |
“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.