Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ADH1B | P00325 | 1/20 | 0.37 |
| ▸ | ADH1A | P07327 | 1/20 | 0.37 |
| ▸ | ADH7 | P40394 | 1/20 | 0.37 |
| ▸ | CHAT | P28329 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL5122681 | 0.87 | HDAC3 (0.46) | SIGMAR1EGFRHDAC3ADH1BADH1A | |
| SCHEMBL7696990 | 0.85 | EGFR (0.49) | SIGMAR1EGFRHDAC3ADH1BADH1A | |
| SCHEMBL196784 | 0.81 | KCNN4 (0.38) | SIGMAR1KMT2AADH1BADH1AADH7 | |
| SCHEMBL10628442 | 0.78 | HDAC3 (0.42) | EGFRHDAC3KMT2ACHATRELA | |
| SCHEMBL10792314 | 0.77 | MAOB (0.39) | HDAC3KMT2AALDH1A1TSHRHTT | |
| SCHEMBL21379865 | 0.77 | POLB (0.41) | HDAC3KMT2ALMNAALDH1A1TSHR | |
| SCHEMBL2464160 | 0.77 | TAAR1 (0.42) | SIGMAR1ALDH1A1 | |
| SCHEMBL2459315 | 0.74 | RAB9A (0.45) | SIGMAR1KMT2AALDH1A1 | |
| Toluene SCHEMBL28104823 | 0.72 | ADH1B (0.60) | SIGMAR1KMT2AADH1BADH1AADH7 | |
| Benzaldehyde SCHEMBL4091798 | 0.71 | ALDH1A1 (0.61) | SIGMAR1EGFRHDAC3KMT2ALMNA |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE37781-E1 | VIRICIDES, PROTEASE INHIBITOR | DUPONT PHARMACEUTICALS COMPANY | 2002-07-02 | — | — | US | claimed |
| US-5811422-A | USEFUL FOR TREATING VIRAL INFECTIONS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-09-22 | — | — | US | claimed |
| EP-0837855-A4 | METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS | DU PONT MERCK PHARMA (US) | 1998-09-02 | — | — | EP | claimed |
| EP-0837855-A1 | METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-04-29 | — | — | EP | claimed |
| US-5610294-A | VIRAL TREATMENT | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-11 | — | — | US | claimed |
| WO-1996040652-A1 | METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-12-19 | — | — | WO | claimed |
| US-5532357-A | Method for preparing N-monosubstituted and N,N'-disubstituted unsymmetrical cyclic ureas | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-07-02 | — | — | US | claimed |
| US-6514988-B1 | A pregnancy controlling agent and a menstrual cycle controlling agent; useful as an agent of spawning promotion in fish | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-02-04 | — | — | US | disclosed |
| US-6187788-B1 | THIENO(2,3-B)(DIHYDRO)PYRIDINE DERIVATIVES; GONADOTROPIN-RELEASING HORMONE ANTAGONISTS; ANTICARCINOGENIC AGENTS; SEXUAL AND UROGENITAL DISORDERS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-02-13 | — | — | US | disclosed |
| US-6180792-B1 | DRUGS, ANTISECRETORY AGENTS AND HORMONE INHIBITORS FOR LH-RH | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-01-30 | — | — | US | disclosed |
| EP-1029859-A1 | N,N'-Disubstituted unsymmetrical cyclic urea and its use in therapy | Dupont Pharmaceuticals Company (US) | 2000-08-23 | — | — | EP | disclosed |
| US-6048863-A | SEXUAL DISORDERS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2000-04-11 | — | — | US | disclosed |
| US-5817819-A | GONADOTROPIN-RELEASING HORMONE ANTAGONIST | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-10-06 | — | — | US | disclosed |
| EP-0837855-A4 | METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS | DU PONT MERCK PHARMA (US) | 1998-09-02 | — | — | EP | disclosed |
| EP-0837855-A1 | METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-04-29 | — | — | EP | disclosed |
| WO-1996040652-A1 | METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-12-19 | — | — | WO | disclosed |
| US-5532357-A | Method for preparing N-monosubstituted and N,N'-disubstituted unsymmetrical cyclic ureas | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-07-02 | — | — | US | disclosed |