Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 4/20 | 0.36 |
| ▸ | NOS1 | P29475 | 4/20 | 0.36 |
| ▸ | NOS2 | P35228 | 3/20 | 0.36 |
| ▸ | REN | P00797 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 4/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | SPR | P35270 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | RAD52 | P43351 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17859630 | 0.92 | NOS3 (0.38) | HTR1ASLC6A4NOS3NOS1NOS2 | |
| SCHEMBL17859616 | 0.87 | NOS3 (0.36) | HTR1ASLC6A4NOS3NOS1NOS2 | |
| SCHEMBL17859614 | 0.87 | NOS3 (0.36) | HTR1ASLC6A4NOS3NOS1NOS2 | |
| SCHEMBL17859601 | 0.85 | HTR1A (0.35) | HTR1ASLC6A4NOS3NOS1NOS2 | |
| SCHEMBL20175321 | 0.85 | REN (0.40) | HTR1ASLC6A4NOS3NOS1NOS2 | |
| SCHEMBL17859617 | 0.84 | NOS3 (0.35) | HTR1ASLC6A4NOS3NOS1NOS2 | |
| SCHEMBL17859615 | 0.83 | NOS3 (0.37) | HTR1ASLC6A4NOS3NOS1NOS2 | |
| SCHEMBL17859613 | 0.83 | NOS3 (0.37) | HTR1ASLC6A4NOS3NOS1NOS2 | |
| SCHEMBL17525511 | 0.82 | NOS3 (0.39) | HTR1ASLC6A4NOS3NOS1NOS2 | |
| SCHEMBL17859618 | 0.82 | NOS3 (0.35) | HTR1ASLC6A4NOS3NOS1NOS2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170327690-A1 | CATIONIC BENZOXAZINE DERIVATIVES AND USE IN HAIR DYEING | OREAL (FR) | 2017-11-16 | — | — | US | disclosed |
| WO-2016097023-A1 | CATIONIC BENZOXAZINE DERIVATIVES AND USE IN HAIR DYEING | L'OREAL (FR) | 2016-06-23 | — | — | 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-20170327690-A1 | CATIONIC BENZOXAZINE DERIVATIVES AND USE IN HAIR DYEING | TYR, CAT, CYC1 | HTR1A 213/4885SLC6A4 443/4885NOS3 653/4885 |
“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.