Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | MGAM | O43451 | 2/20 | 0.41 |
| ▸ | SI | P14410 | 2/20 | 0.41 |
| ▸ | MGAM2 | Q2M2H8 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.37 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9513 | 0.92 | TSHR (0.50) | TSHRGAAMGAMSIMGAM2 | |
| SCHEMBL11666387 | 0.91 | TSHR (0.43) | TSHRGAAMGAMSIMGAM2 | |
| Hydrochloric Acid SCHEMBL28225884 | 0.90 | TSHR (0.48) | TSHRGAAMGAMSIMGAM2 | |
| SCHEMBL2221470 | 0.90 | TSHR (0.48) | TSHRGAAMGAMSIMGAM2 | |
| Acetone SCHEMBL28861611 | 0.90 | TSHR (0.48) | TSHRGAAMGAMSIMGAM2 | |
| SCHEMBL5702374 | 0.90 | TSHR (0.48) | TSHRGAAMGAMSIMGAM2 | |
| SCHEMBL5134550 | 0.90 | TSHR (0.48) | TSHRGAAMGAMSIMGAM2 | |
| SCHEMBL1616122 | 0.90 | TSHR (0.48) | TSHRGAAMGAMSIMGAM2 | |
| Acetic Acid SCHEMBL28081680 | 0.88 | TSHR (0.47) | TSHRGAAMGAMSIMGAM2 | |
| Acetic Acid SCHEMBL28073191 | 0.86 | TSHR (0.46) | TSHRGAAMGAMSIMGAM2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100480221-C | Preparation for alpha, beta-unsaturated higher alcohols | BASF AG (DE) | 2009-04-22 | — | — | CN | disclosed |
| US-6828468-B2 | By base-catalyzed monoethynylation of a ketone in liquid ammonia | BASF AKTIENGESELLSCHAFT (DE) | 2004-12-07 | — | — | US | disclosed |
| CN-1385408-A | Preparation for alpha, beta-unsaturated higher alcohols | BASF AG (DE) | 2002-12-18 | — | — | CN | disclosed |