Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIA1 | P42261 | 2/20 | 0.37 |
| ▸ | GRIA2 | P42262 | 2/20 | 0.37 |
| ▸ | GRIA3 | P42263 | 2/20 | 0.37 |
| ▸ | GRIA4 | P48058 | 2/20 | 0.37 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.36 |
| ▸ | CDK9 | P50750 | 1/20 | 0.36 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.36 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL474098 | 0.83 | BTK (0.41) | ALDH1A1KDM4EMAPTHPGDMEN1 | |
| SCHEMBL15331942 | 0.80 | ALDH1A1 (0.41) | ALDH1A1MAPTHPGDHSD17B10APOBEC3G | |
| SCHEMBL15330777 | 0.80 | TNKS2 (0.37) | MAPTMAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL15331294 | 0.80 | MAP2K1 (0.33) | MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL2555001 | 0.80 | KDM4E (0.41) | ALDH1A1KDM4EMAPTHPGDHSD17B10 | |
| SCHEMBL8963381 | 0.80 | NISCH (0.42) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL15332789 | 0.80 | KDM4E (0.38) | ALDH1A1KDM4ELMNASMN1; SMN2GSK3B | |
| SCHEMBL1336674 | 0.80 | GFER (0.45) | KDM4EMAPK13RAF1MAPK12MAPK11 | |
| SCHEMBL29951043 | 0.80 | BTK (0.49) | ALDH1A1KDM4EMAPTHPGDERN1 | |
| SCHEMBL2456169 | 0.80 | CCR1 (0.37) | — |
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-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |
| 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 |
| US-5750549-A | ANTIINFLAMMATORY AGENTS OR ANALGESICS | MERCK & CO., INC. (US) | 1998-05-12 | — | — | US | disclosed |
| WO-1997014671-A1 | CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1997-04-24 | — | — | WO | disclosed |