Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.56 |
| ▸ | RAB9A | P51151 | 3/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.55 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.54 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 5/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.51 |
| ▸ | RELA | Q04206 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6180207 | 0.87 | MAPT (0.67) | ALDH1A1RAB9ASMN1; SMN2TSHRPDE4D | |
| SCHEMBL13887595 | 0.85 | NR4A3 (0.72) | ALDH1A1RAB9ASMN1; SMN2TSHRPDE4D | |
| SCHEMBL1356015 | 0.85 | ALDH1A1 (0.79) | ALDH1A1RAB9ASMN1; SMN2TSHRPDE4D | |
| SCHEMBL1566613 | 0.82 | ALDH1A1 (0.54) | ALDH1A1RAB9ASMN1; SMN2TSHRPDE4D | |
| SCHEMBL6178406 | 0.82 | ALDH1A1 (0.54) | ALDH1A1RAB9ASMN1; SMN2TSHRHPGD | |
| SCHEMBL2722465 | 0.81 | TRPC1 (0.64) | ALDH1A1RAB9ASMN1; SMN2TSHRPDE4D | |
| SCHEMBL16398256 | 0.80 | ALDH1A1 (0.50) | ALDH1A1RAB9ASMN1; SMN2TSHRHPGD | |
| SCHEMBL3358788 | 0.80 | NPC1 (0.58) | ALDH1A1RAB9ASMN1; SMN2NPBWR1MCHR1 | |
| SCHEMBL31588026 | 0.79 | ALDH1A1 (0.55) | ALDH1A1RAB9ASMN1; SMN2TSHRHPGD | |
| SCHEMBL28698013 | 0.77 | SMN1; SMN2 (0.73) | ALDH1A1SMN1; SMN2PDE4DNPBWR1MAPT |
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 4 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 |
| 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 | ALDH1A1 489/4885RAB9A 893/4885SMN1; SMN2 1271/4885 |
“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.