Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | BACE1 | P56817 | 10/20 | 0.48 |
| ▸ | ANPEP | P15144 | 1/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL20495593 | 0.81 | CYP3A4 (0.50) | CYP3A4CYP2C9CYP2C19BACE1ANPEP | |
| SCHEMBL11447077 | 0.79 | MAOA (0.38) | CYP3A4CYP2C9CYP2C19BACE1EPHX1 | |
| SCHEMBL5950846 | 0.78 | BACE1 (0.47) | CYP3A4CYP2C9CYP2C19BACE1ANPEP | |
| SCHEMBL5950852 | 0.78 | BACE1 (0.47) | CYP3A4CYP2C9CYP2C19BACE1ANPEP | |
| Ammonia Solution, Strong SCHEMBL7238685 | 0.77 | MAOA (0.65) | MAOAMAOB | |
| SCHEMBL20088011 | 0.77 | BACE1 (0.58) | CYP3A4CYP2C9CYP2C19BACE1ANPEP | |
| SCHEMBL27611903 | 0.77 | BACE1 (0.58) | CYP3A4CYP2C9CYP2C19BACE1ANPEP | |
| SCHEMBL14461990 | 0.76 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19BACE1ANPEP | |
| SCHEMBL10722687 | 0.76 | CYP3A4 (0.52) | CYP3A4CYP2C9CYP2C19BACE1ANPEP | |
| SCHEMBL5282055 | 0.75 | CYP2A6 (0.50) | CYP3A4CYP2C9CYP2C19BACE1ANPEP |
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-6639109-B1 | Reacting amino alcohol with sulfuric acid then reacting resulting amino sulfate with a mercaptan; simple, safe, rapid | NIHON NOHYAKU CO., LTD. (JP) | 2003-10-28 | — | — | US | disclosed |
| EP-1216988-A1 | THIOALKYLAMINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF | Nihon Nohyaku Co., Ltd. (JP) | 2002-06-26 | — | — | EP | disclosed |