Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK8 | P49336 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | SGK1 | O00141 | 1/20 | 0.33 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.33 |
| ▸ | PRKCI | P41743 | 1/20 | 0.32 |
| ▸ | RAD52 | P43351 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29859361 | 0.77 | MMP12 (0.34) | — | |
| SCHEMBL18888882 | 0.77 | HTT (0.33) | KDM4EALDH1A1 | |
| SCHEMBL986400 | 0.74 | PRKCI (0.44) | KDM4EMAPTALDH1A1APEX1RECQL | |
| SCHEMBL30770814 | 0.74 | PRKCI (0.44) | KDM4EMAPTALDH1A1APEX1RECQL | |
| Hydrochloric Acid SCHEMBL1365384 | 0.72 | KDM4E (0.46) | KDM4EMAPTALDH1A1APEX1RECQL | |
| SCHEMBL23731797 | 0.69 | KDM4E (0.33) | KDM4EMAPTALDH1A1APEX1RECQL | |
| SCHEMBL14858833 | 0.69 | PARP1 (0.39) | KDM4EMAPTALDH1A1APEX1RECQL | |
| SCHEMBL14858747 | 0.69 | PARP1 (0.39) | KDM4EMAPTALDH1A1APEX1RECQL | |
| SCHEMBL190623 | 0.69 | DYRK1A (0.46) | CDK8KDM4EMAPTALDH1A1APEX1 | |
| Purine SCHEMBL9215921 | 0.69 | LOXL2 (0.44) | CDK8ALDH1A1SGK1ASIC3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6610692-B1 | Anticoagulants | MERCK & CO., INC. | 2003-08-26 | — | — | US | disclosed |
| 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 |