Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.72 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.67 |
| ▸ | TSHR | P16473 | 2/20 | 0.67 |
| ▸ | RHOA | P61586 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.41 |
| ▸ | LIG1 | P18858 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9421944 | 0.85 | CYP3A4 (0.74) | CYP3A4ALDH1A1HSD17B10TSHRRHOA | |
| SCHEMBL15485816 | 0.85 | CYP3A4 (0.74) | CYP3A4ALDH1A1HSD17B10TSHRRHOA | |
| SCHEMBL851234 | 0.85 | CYP3A4 (0.74) | CYP3A4ALDH1A1HSD17B10TSHRRHOA | |
| SCHEMBL7878156 | 0.85 | CYP3A4 (0.74) | CYP3A4ALDH1A1HSD17B10TSHRRHOA | |
| SCHEMBL16371573 | 0.84 | CYP3A4 (1.00) | CYP3A4ALDH1A1HSD17B10TSHRRHOA | |
| SCHEMBL27474785 | 0.84 | CYP3A4 (1.00) | CYP3A4ALDH1A1HSD17B10TSHRRHOA | |
| SCHEMBL29362146 | 0.84 | CYP3A4 (1.00) | CYP3A4ALDH1A1HSD17B10TSHRRHOA | |
| SCHEMBL15174 | 0.84 | CYP3A4 (1.00) | CYP3A4ALDH1A1HSD17B10TSHRRHOA | |
| SCHEMBL11384198 | 0.84 | CYP3A4 (0.72) | CYP3A4ALDH1A1HSD17B10TSHRRHOA | |
| SCHEMBL1399047 | 0.84 | CYP3A4 (0.72) | CYP3A4ALDH1A1HSD17B10TSHRRHOA |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0920413-B1 | BORONIC COMPOUND COMPLEXING REAGENTS AND COMPLEXES | PROLINX INC (US) | 2002-11-13 | — | — | EP | claimed |
| EP-0915832-B1 | BORONIC COMPOUND COMPLEXING REAGENTS AND HIGHLY STABLE COMPLEXES | PROLINX INC (US) | 2002-10-02 | — | — | EP | claimed |
| EP-0920413-A1 | BORONIC COMPOUND COMPLEXING REAGENTS AND COMPLEXES | PROLINX, INC. (US) | 1999-06-09 | — | — | EP | claimed |
| EP-0915832-A1 | BORONIC COMPOUND COMPLEXING REAGENTS AND HIGHLY STABLE COMPLEXES | PROLINX, INC. (US) | 1999-05-19 | — | — | EP | claimed |
| WO-1998005627-A1 | BORONIC COMPOUND COMPLEXING REAGENTS AND HIGHLY STABLE COMPLEXES | PROLINX, INC. (US) | 1998-02-12 | — | — | WO | claimed |
| WO-1998005629-A1 | BORONIC COMPOUND COMPLEXING REAGENTS AND COMPLEXES | PROLINX, INC. (US) | 1998-02-12 | — | — | WO | claimed |
| EP-1178958-A2 | N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2002-02-13 | — | — | EP | disclosed |
| WO-2000055125-A2 | N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2000-09-21 | — | — | WO | disclosed |