Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | HTR3A | P46098 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.38 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.38 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.38 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL22991116 | 0.82 | PDE7A (0.50) | HTR1AHTR3AALDH1A1L3MBTL1NPC1 | |
| SCHEMBL23598230 | 0.81 | MAPT (0.40) | HTR1AHTR3AALDH1A1L3MBTL1NPC1 | |
| SCHEMBL11555907 | 0.79 | MAPT (0.50) | HTR1AHTR3AALDH1A1LMNAESR1 | |
| SCHEMBL12795608 | 0.79 | MAOA (0.44) | HTR1AHTR3AALDH1A1L3MBTL1MAPT | |
| SCHEMBL7674839 | 0.79 | HTR1A (0.50) | HTR1AHTR3AALDH1A1L3MBTL1LMNA | |
| SCHEMBL2754910 | 0.76 | ALDH1A1 (0.47) | HTR1AHTR3AALDH1A1L3MBTL1NPC1 | |
| SCHEMBL19180560 | 0.76 | MAPT (0.41) | HTR1AHTR3AALDH1A1L3MBTL1NPC1 | |
| SCHEMBL8374426 | 0.76 | ESR2 (0.48) | HTR1AHTR3AALDH1A1L3MBTL1LMNA | |
| SCHEMBL5548843 | 0.76 | MAPT (0.57) | HTR1AHTR3AALDH1A1L3MBTL1LMNA | |
| SCHEMBL17835413 | 0.75 | MAOA (0.44) | HTR1AHTR3AALDH1A1MAPTHPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180093975-A1 | ALKYNE SUBSTITUTED QUINAZOLINE COMPOUND AND METHODS OF USE | NEWGEN THERAPEUTICS, INC. | 2018-04-05 | — | — | US | 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-20180093975-A1 | ALKYNE SUBSTITUTED QUINAZOLINE COMPOUND AND METHODS OF USE | ERBB2, ERBB4, ERBB3 | HTR1A 2687/4885HTR3A 2139/4885ALDH1A1 1978/4885 |
“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.