Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Diethylamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BBOX1 | O75936 | 4/20 | 0.60 |
| ▸ | EHMT2 | Q96KQ7 | 3/20 | 0.60 |
| ▸ | EHMT1 | Q9H9B1 | 3/20 | 0.60 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.34 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL76857 | 0.78 | BBOX1 (1.00) | BBOX1EHMT2EHMT1MAOALMNA | |
| Biphenyl SCHEMBL12984366 | 0.76 | ALDH1A1 (0.53) | TP53KCNN4HTTADRB2SIGMAR1 | |
| SCHEMBL29702886 | 0.74 | BBOX1 (0.92) | BBOX1EHMT2EHMT1MAOALMNA | |
| Water SCHEMBL29110904 | 0.74 | BBOX1 (0.92) | BBOX1EHMT2EHMT1MAOALMNA | |
| Benzene SCHEMBL203064 | 0.74 | TP53 (0.73) | TP53KCNN4HTTADRB2SIGMAR1 | |
| Biphenyl SCHEMBL27871813 | 0.74 | ALDH1A1 (0.50) | TP53KCNN4HTTADRB2SIGMAR1 | |
| Toluene SCHEMBL3113498 | 0.74 | LMNA (0.61) | TP53KCNN4HTTADRB2LMNA | |
| SCHEMBL10396954 | 0.73 | HTT (0.41) | BBOX1EHMT2EHMT1TP53KCNN4 | |
| Naphthalene SCHEMBL11128018 | 0.73 | CYP2A6 (0.50) | TP53KCNN4HTTADRB2SIGMAR1 | |
| Benzenethiol SCHEMBL11638768 | 0.72 | TP53 (0.42) | TP53KCNN4HTTADRB2SIGMAR1 |
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-20080015189-A1 | Antimicrobial photoinactivation using chalcogen analogs of benzo(A)phenoxazinium dyes | THE GENERAL HOSPITAL CORPORATION (US) | 2008-01-17 | — | — | 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-20080015189-A1 | Antimicrobial photoinactivation using chalcogen analogs of benzo(A)phenoxazinium dyes | BLVRB, CUTA, TYR | BBOX1 51/4885EHMT2 3453/4885EHMT1 3473/4885 |
“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.