Known targets — ChEMBL curated mechanism
CACNA1CCACNA1DCACNA1FCACNA1SDPP4HTR1BHTR1D
The experimentally established mechanism targets of Hexadecylamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.54 |
| ▸ | CES1 | P23141 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | NAAA | Q02083 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | DAO | P14920 | 1/20 | 0.52 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.52 |
| ▸ | RARB | P10826 | 7/20 | 0.51 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | RARA | P10276 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | MTOR | P42345 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Benzoic Acid SCHEMBL28784335 | 1.00 | CES2 (0.54) | CES2CES1TSHRNAAATP53 | |
| Tetradecylamine SCHEMBL235412 | 1.00 | CES2 (0.54) | CES2CES1TSHRNAAATP53 | |
| Benzoic Acid SCHEMBL7627648 | 1.00 | CES2 (0.54) | CES2CES1TSHRNAAATP53 | |
| Benzoic Acid SCHEMBL28250016 | 1.00 | CES2 (0.54) | CES2CES1TSHRNAAATP53 | |
| Dodecylamine SCHEMBL5968297 | 1.00 | CES2 (0.54) | CES2CES1TSHRNAAATP53 | |
| Octadecylamine SCHEMBL11431528 | 1.00 | CES2 (0.54) | CES2CES1TSHRNAAATP53 | |
| Decylamine SCHEMBL11437273 | 1.00 | CES2 (0.54) | CES2CES1TSHRNAAATP53 | |
| Benzoic Acid SCHEMBL10613339 | 0.98 | TSHR (0.54) | CES2CES1TSHRNAAATP53 | |
| Octadecylamine SCHEMBL27966640 | 0.95 | CES2 (0.50) | CES2CES1TSHRNAAATP53 | |
| Octadecylamine SCHEMBL27966638 | 0.95 | CES2 (0.50) | CES2CES1TSHRNAAATP53 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0091086-A2 | Process for decreasing the friction resistance in flowing aqueous media | HOECHST AKTIENGESELLSCHAFT (DE) | 1983-10-12 | — | — | EP | disclosed |
| US-4212674-A | N-OLEYL-1,3-PROPANEDIAMMONIUM DIOLEATE AND/OR DERIVATIVES AND A PARTICULATE CARRIER | PLUSS-STAUFER AG (CH) | 1980-07-15 | — | — | US | disclosed |