Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIG1 | P18858 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.35 |
| ▸ | CCR2 | P41597 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7183318 | 1.00 | LIG1 (0.36) | LIG1ALDH1A1TDP1HSD11B1CCR2 | |
| SCHEMBL4983556 | 0.75 | KDM1A (0.34) | LIG1TDP1HSD11B1HTTKMT2A | |
| SCHEMBL3477146 | 0.75 | KDM1A (0.34) | LIG1TDP1HSD11B1HTTKMT2A | |
| SCHEMBL28065197 | 0.72 | KDM1A (0.44) | LIG1TDP1HSD11B1CCR2RORC | |
| SCHEMBL17984248 | 0.72 | KDM1A (0.44) | LIG1TDP1HSD11B1CCR2RORC | |
| SCHEMBL16455153 | 0.72 | KDM1A (0.44) | LIG1TDP1HSD11B1CCR2RORC | |
| SCHEMBL15657722 | 0.66 | ALDH1A1 (0.41) | ALDH1A1TDP1HSD11B1CCR2PTGS2 | |
| SCHEMBL15657724 | 0.66 | ALDH1A1 (0.41) | ALDH1A1TDP1HSD11B1CCR2PTGS2 | |
| Bicarbonate SCHEMBL11480427 | 0.64 | CCR2 (0.42) | LIG1ALDH1A1TDP1HSD11B1CCR2 | |
| SCHEMBL23878282 | 0.62 | POLB (0.41) | ALDH1A1APPCYP3A4CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0858444-A4 | CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 1999-12-01 | — | — | EP | disclosed |
| EP-0858444-A1 | CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 1998-08-19 | — | — | EP | disclosed |
| WO-1997014671-A1 | CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1997-04-24 | — | — | WO | disclosed |