Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 3/20 | 0.69 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14865966 | 1.00 | TRPA1 (0.69) | TRPA1CYP2D6TAAR1SIGMAR1SLC6A2 | |
| SCHEMBL8528186 | 0.84 | TRPA1 (0.58) | TRPA1CYP2D6TAAR1SIGMAR1SLC6A2 | |
| SCHEMBL16169480 | 0.82 | TRPA1 (0.71) | TRPA1CYP2D6TAAR1SIGMAR1SLC6A2 | |
| SCHEMBL18456337 | 0.82 | TRPA1 (1.00) | TRPA1CYP2D6TAAR1SIGMAR1SLC6A2 | |
| SCHEMBL12768230 | 0.82 | TRPA1 (1.00) | TRPA1CYP2D6TAAR1SIGMAR1SLC6A2 | |
| SCHEMBL14222474 | 0.81 | TRPA1 (0.63) | TRPA1CYP2D6TAAR1SIGMAR1SLC6A2 | |
| SCHEMBL19725385 | 0.81 | TRPA1 (0.69) | TRPA1CYP2D6TAAR1SIGMAR1SLC6A2 | |
| SCHEMBL21852752 | 0.81 | TRPA1 (0.69) | TRPA1CYP2D6TAAR1SIGMAR1SLC6A2 | |
| SCHEMBL234669 | 0.81 | TRPA1 (0.69) | TRPA1CYP2D6TAAR1SIGMAR1SLC6A2 | |
| SCHEMBL8263754 | 0.80 | TRPA1 (0.69) | TRPA1CYP2D6TAAR1SIGMAR1SLC6A2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9593073-B2 | Method for the preparation of diazoalkanes | BAKHU LIMITED (GB) | 2017-03-14 | — | — | US | disclosed |
| US-20150038687-A1 | METHOD FOR THE PREPARATION OF DIAZOALKANES | BAKHU LIMITED (GB) | 2015-02-05 | — | — | US | disclosed |
| US-20130116457-A1 | CLEAN, HIGH-YIELD PREPARATION OF S,S AND R,S AMINO ACID ISOSTERES | AEROJET FINE CHEMICALS LLC (US) | 2013-05-09 | — | — | US | disclosed |
| US-20130096317-A1 | REDUCTION OF ALDEHYDES AND KETONES TO ALCOHOLS | GEORGIA TECH RESEARCH CORPORATION (US) | 2013-04-18 | — | — | US | disclosed |
| US-8163933-B2 | Clean, high-yield preparation of S,S and R,S amino acid isosteres | AMPAC FINE CHEMICALS LLC (US) | 2012-04-24 | — | — | US | disclosed |
| US-20090012303-A1 | CLEAN, HIGH-YIELD PREPARATION OF S,S AND R,S AMINO ACID ISOSTERES | AEROJET FINE CHEMICALS LLC (US) | 2009-01-08 | — | — | US | disclosed |
| US-7309803-B2 | Clean, High-yield preparation of S,S and R,S amino acid isosteres | AEROJET FINE CHEMICALS LLC (US) | 2007-12-18 | — | — | 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 (4 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-20090012303-A1 | CLEAN, HIGH-YIELD PREPARATION OF S,S AND R,S AMINO ACID ISOSTERES | SRMS, HCK, BHMT2 | TRPA1 4425/4885CYP2D6 1814/4885TAAR1 2357/4885 |
| US-20150038687-A1 | METHOD FOR THE PREPARATION OF DIAZOALKANES | NIT2, DNTT, NAT1 | TRPA1 1380/4885CYP2D6 185/4885TAAR1 324/4885 |
| US-20130096317-A1 | REDUCTION OF ALDEHYDES AND KETONES TO ALCOHOLS | POF1B, PHF2, ADH1C | TRPA1 3026/4885CYP2D6 1921/4885TAAR1 334/4885 |
| US-20130116457-A1 | CLEAN, HIGH-YIELD PREPARATION OF S,S AND R,S AMINO ACID ISOSTERES | SRMS, HCK, BHMT2 | TRPA1 4425/4885CYP2D6 1814/4885TAAR1 2357/4885 |
“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.