Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.35 |
| ▸ | ATR | Q13535 | 1/20 | 0.35 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.35 |
| ▸ | DHODH | Q02127 | 2/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.33 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL7449500 | 0.88 | MAPT (0.41) | MEN1KMT2AHTTS1PR1KDM4E | |
| SCHEMBL7451349 | 0.77 | F2 (0.45) | MEN1KMT2AKDM4EMAPTNPSR1 | |
| SCHEMBL7015258 | 0.72 | F2 (0.44) | HTTKDM4EMAPTALDH1A1LMNA | |
| SCHEMBL7408816 | 0.69 | GABRR1 (0.37) | GABRR1GAAKDM4ELMNA | |
| SCHEMBL7216462 | 0.69 | F2 (0.45) | — | |
| SCHEMBL30855343 | 0.67 | GRM5 (0.41) | MEN1KMT2AHTTATRGRM5 | |
| SCHEMBL6989545 | 0.67 | GPR84 (0.41) | KDM4EMAPTNPSR1ALDH1A1 | |
| SCHEMBL11273488 | 0.66 | KDM4E (0.56) | MEN1KMT2AEGLN1PTGDR2GABRR1 | |
| SCHEMBL7405687 | 0.65 | FFAR1 (0.44) | MEN1KMT2AHTTKDM4EMAPT | |
| SCHEMBL3175443 | 0.65 | KDM4E (0.59) | MEN1KMT2AEGLN1PTGDR2PTGS2 |
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-1124822-A4 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 2002-04-03 | — | — | EP | disclosed |
| EP-1124822-A1 | THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2001-08-22 | — | — | EP | disclosed |
| WO-2000026211-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2000-05-11 | — | — | WO | disclosed |