Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | G6PD | P11413 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | NEK2 | P51955 | 1/20 | 0.35 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NSD2 | O96028 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | EP300 | Q09472 | 1/20 | 0.34 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.34 |
| ▸ | KAT8 | Q9H7Z6 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7595952 | 0.84 | CHEK1 (0.39) | G6PDTDP1HCRTR1KEAP1CHEK1 | |
| SCHEMBL2964374 | 0.80 | CHEK1 (0.39) | TDP1KEAP1CHEK1NEK2LIMK1 | |
| SCHEMBL29827543 | 0.79 | PAX8 (0.41) | TDP1KEAP1CHEK1NEK2LIMK1 | |
| SCHEMBL5608087 | 0.79 | SIGMAR1 (0.40) | TDP1KEAP1CHEK1NEK2LIMK1 | |
| SCHEMBL2679932 | 0.79 | CYP2D6 (0.43) | G6PDTDP1KEAP1CHEK1NEK2 | |
| SCHEMBL1660887 | 0.79 | PAX8 (0.41) | TDP1KEAP1CHEK1NEK2LIMK1 | |
| SCHEMBL30502409 | 0.79 | CYP2D6 (0.43) | G6PDTDP1KEAP1CHEK1NEK2 | |
| SCHEMBL726452 | 0.79 | CA2 (0.47) | G6PDTDP1CHEK1NEK2LIMK1 | |
| SCHEMBL29773602 | 0.79 | CA2 (0.47) | G6PDTDP1CHEK1NEK2LIMK1 | |
| Hydrochloric Acid SCHEMBL28101819 | 0.78 | EP300 (0.43) | G6PDTDP1CHEK1NEK2LIMK1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5393760-A | Cardiovascular disorders, antitumor agents | HOFFMANN-LA ROCHE INC. (US) | 1995-02-28 | — | — | US | claimed |
| EP-0468231-B1 | Guanidins | HOFFMANN LA ROCHE (CH) | 1994-09-21 | — | — | EP | claimed |
| EP-0468231-A2 | Guanidins | F. HOFFMANN-LA ROCHE AG (CH) | 1992-01-29 | — | — | EP | claimed |
| US-5763436-A | ANTICOAGULANTS | HOFFMANN-LA ROCHE INC. (US) | 1998-06-09 | — | — | US | disclosed |
| US-5595999-A | ANTICOAGULANTS | HOFFMANN-LA ROCHE INC. (US) | 1997-01-21 | — | — | US | disclosed |
| US-5583133-A | ANTICOAGULANTS | HOFFMANN-LA ROCHE INC. (US) | 1996-12-10 | — | — | US | disclosed |
| US-5532232-A | INHIBIT THROMBIN INDUCED PLATELET AGGREGATION; FIBRINOGEN ANTICOAGULANTS IN BLOOD | HOFFMANN-LA ROCHE INC. (US) | 1996-07-02 | — | — | US | disclosed |
| US-5393760-A | Cardiovascular disorders, antitumor agents | HOFFMANN-LA ROCHE INC. (US) | 1995-02-28 | — | — | US | disclosed |
| EP-0468231-B1 | Guanidins | HOFFMANN LA ROCHE (CH) | 1994-09-21 | — | — | EP | disclosed |
| US-5260307-A | Inhibit thrombin-induced platlet aggregation and clotting of fibrogen in plasma | HOFMANN-LA ROCHE INC. (US) | 1993-11-09 | — | — | US | disclosed |
| EP-0468231-A2 | Guanidins | F. HOFFMANN-LA ROCHE AG (CH) | 1992-01-29 | — | — | EP | disclosed |