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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | ESR1 | P03372 | 1/20 | 0.53 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.53 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.53 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.53 |
| ▸ | GGT1 | P19440 | 1/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| Diethylamine SCHEMBL28471805 | 0.99 | TSHR (0.56) | TSHRHSD17B10KDM4ELMNACYP1A2 | |
| SCHEMBL30186934 | 0.92 | TSHR (0.67) | TSHRHSD17B10KDM4ELMNACYP1A2 | |
| SCHEMBL1872604 | 0.92 | TSHR (0.67) | TSHRHSD17B10KDM4ELMNACYP1A2 | |
| Dimethylamine SCHEMBL11757110 | 0.91 | TSHR (0.61) | TSHRHSD17B10KDM4ELMNACYP1A2 | |
| Hydrochloric Acid SCHEMBL25260430 | 0.91 | TSHR (0.65) | TSHRHSD17B10KDM4ELMNACYP1A2 | |
| Aspirin SCHEMBL27776914 | 0.87 | KDM4E (0.74) | TSHRHSD17B10KDM4ELMNACYP1A2 | |
| SCHEMBL22448903 | 0.86 | PTGS2 (0.56) | TSHRHSD17B10KDM4ELMNACYP1A2 | |
| Aspirin SCHEMBL28471801 | 0.83 | KDM4E (0.77) | TSHRHSD17B10KDM4ELMNACYP1A2 | |
| Pyridine SCHEMBL28138411 | 0.83 | HSD17B10 (0.56) | TSHRHSD17B10KDM4ELMNACYP1A2 | |
| Aspirin SCHEMBL28474991 | 0.82 | KDM4E (0.75) | TSHRHSD17B10KDM4ELMNACYP1A2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111808011-B | High penetration composition and its application | 泰飞尔生物医药(苏州)有限公司 | 2024-02-27 | — | — | CN | disclosed |
| CN-113636965-A | High penetration composition and application thereof | 于崇曦 | 2021-11-12 | — | — | CN | disclosed |
| CN-107320732-B | High penetration composition and application thereof | 于崇曦 | 2021-09-07 | — | — | CN | disclosed |
| CN-108191846-B | High penetration composition and application thereof | 于崇曦 | 2021-08-20 | — | — | CN | disclosed |
| CN-111808011-A | High penetration composition and application thereof | 于崇曦 | 2020-10-23 | — | — | CN | disclosed |