Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | FABP1 | P07148 | 1/20 | 0.38 |
| ▸ | FABP6 | P51161 | 1/20 | 0.38 |
| ▸ | METAP2 | P50579 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | RAD52 | P43351 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28026789 | 0.73 | HTT (0.42) | HTTKCNH3CA1CA2HSD17B10 | |
| SCHEMBL12478183 | 0.72 | HSD17B10 (0.46) | HTTHSD17B10ALDH1A1KMT2ATHRB | |
| SCHEMBL9294542 | 0.72 | HTT (0.35) | HTTKCNH3CA1CA2HSD17B10 | |
| N-Benzylaniline SCHEMBL7840 | 0.68 | HTT (0.71) | HTTKCNH3CA1CA2ALDH1A1 | |
| SCHEMBL22628164 | 0.68 | HTT (0.71) | HTTKCNH3CA1CA2ALDH1A1 | |
| SCHEMBL1924100 | 0.68 | HTT (0.78) | HTTCA1CA2ALDH1A1KMT2A | |
| SCHEMBL4072346 | 0.68 | IDO1 (0.39) | HTTCA1CA2HSD17B10FABP1 | |
| SCHEMBL2066721 | 0.67 | RECQL (0.31) | — | |
| N-Benzylaniline SCHEMBL3602124 | 0.66 | HTT (0.68) | HTTKCNH3CA1CA2ALDH1A1 | |
| SCHEMBL20804371 | 0.66 | HTT (0.61) | HTTKCNH3CA1CA2IDO1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5776954-A | GLUCAGON ANTAGONISTS | MERCK & CO., INC. (US) | 1998-07-07 | — | — | US | claimed |
| EP-0859771-A4 | SUBSTITUTED PYRIDYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO INC (US) | 2000-03-15 | — | — | EP | disclosed |
| EP-0859771-A1 | SUBSTITUTED PYRIDYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | Merck & Co., Inc. (US) | 1998-08-26 | — | — | EP | disclosed |
| US-5776954-A | GLUCAGON ANTAGONISTS | MERCK & CO., INC. (US) | 1998-07-07 | — | — | US | disclosed |
| WO-1997016442-A1 | SUBSTITUTED PYRIDYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO., INC. (US) | 1997-05-09 | — | — | WO | disclosed |