Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | THRB | P10828 | 1/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.62 |
| ▸ | ATM | Q13315 | 1/20 | 0.56 |
| ▸ | TACR1 | P25103 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | CTSS | P25774 | 1/20 | 0.53 |
| ▸ | CTSK | P43235 | 1/20 | 0.53 |
| ▸ | PAM | P19021 | 1/20 | 0.53 |
| ▸ | GNPAT | O15228 | 1/20 | 0.53 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL16668525 | 1.00 | ALDH1A1 (0.62) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL27488362 | 0.92 | ALDH1A1 (0.68) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL3734223 | 0.92 | ALDH1A1 (0.68) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL9020942 | 0.91 | ALDH1A1 (0.61) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL16667994 | 0.91 | ALDH1A1 (0.61) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL10791119 | 0.91 | ALDH1A1 (0.64) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL803579 | 0.89 | ATM (0.68) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL1884230 | 0.89 | ATM (0.68) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL1879654 | 0.89 | ATM (0.68) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL10915929 | 0.89 | ALDH1A1 (0.58) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0478729-B1 | PROCESS FOR MANUFACTURING ASPARTAME FROM A DIKETOPIPERAZINE AND NOVEL INTERMEDIATES AND DERIVATIVES THEREFOR | NUTRASWEET CO (US) | 1996-08-21 | — | — | EP | disclosed |
| EP-0478729-A4 | PROCESS FOR MANUFACTURING ASPARTAME FROM A DIKETOPIPERAZINE AND NOVEL INTERMEDIATES AND DERIVATIVES THEREFOR | — | 1993-06-16 | — | — | EP | disclosed |
| US-5144073-A | Decyclization of diketopiperazine intermediates | EASTMAN CHEMICAL COMPANY | 1992-09-01 | — | — | US | disclosed |
| US-5144073-A | Decyclization of diketopiperazine intermediates | EASTMAN CHEMICAL COMPANY | 1992-09-01 | — | — | US | disclosed |
| EP-0478729-A1 | PROCESS FOR MANUFACTURING ASPARTAME FROM A DIKETOPIPERAZINE AND NOVEL INTERMEDIATES AND DERIVATIVES THEREFOR. | NUTRASWEET CO (US) | 1992-04-08 | — | — | EP | disclosed |
| WO-1991014378-A1 | PROCESS FOR MANUFACTURING ASPARTAME FROM A DIKETOPIPERAZINE AND NOVEL INTERMEDIATES AND DERIVATIVES THEREFOR | THE NUTRASWEET COMPANY (US) | 1991-10-03 | — | — | WO | disclosed |