Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | LTC4S | Q16873 | 1/20 | 0.43 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | MYC | P01106 | 2/20 | 0.40 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7333570 | 0.88 | SRD5A2 (0.59) | SRD5A2TSHRALOX15HSP90AA1PDK2 | |
| SCHEMBL7332453 | 0.85 | ALDH1A1 (0.53) | SRD5A2TSHRALOX15HSP90AA1PDK2 | |
| SCHEMBL6993347 | 0.85 | MEN1 (0.49) | SRD5A2ALOX15HSP90AA1PDK2POLB | |
| SCHEMBL5237051 | 0.83 | PLAU (0.49) | SRD5A2TSHRHSP90AA1PDK2POLB | |
| SCHEMBL5233994 | 0.81 | POLB (0.51) | SRD5A2ALOX15HSP90AA1PDK2POLB | |
| SCHEMBL5233591 | 0.80 | POLB (0.53) | TSHRHSP90AA1PDK2POLBKMT2A | |
| SCHEMBL8900286 | 0.78 | HSP90AA1 (0.50) | TSHRHSP90AA1PDK2POLBKMT2A | |
| SCHEMBL824683 | 0.77 | HPGD (0.51) | TSHRKMT2AMEN1NPC1RAB9A | |
| SCHEMBL5233242 | 0.76 | POLB (0.79) | TSHRPOLBKMT2AMEN1NPC1 | |
| SCHEMBL18917237 | 0.75 | CHEK2 (0.49) | HSP90AA1PDK2POLBKMT2AMEN1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0804440-B1 | TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS | WYETH CORP (US) | 2007-12-19 | — | — | EP | disclosed |
| EP-0811008-B1 | BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS | WYETH CORP (US) | 2003-10-01 | — | — | EP | disclosed |
| US-5968930-A | FOR TREATMENT AND/OR PREVENTION OF HYPERTENSION, CARDIAC INSUFFICIENCY, CORONARY VASOSPASM, CARDIAC ISCHEMIA, RENAL VASOSPASM, LIVER CIRRHOSIS, CONGESTIVE HEART FAILURE, NEPHROTIC SYNDROME, BRAIN EDEMA, CEREBRAL ISCHEMIA | AMERICAN CYANAMID COMPANY (US) | 1999-10-19 | — | — | US | disclosed |
| US-5968937-A | FOR TREATMENT AND/OR PREVENTION OF HYPERTENSION, CARDIAC INSUFFICIENCY, CORONARY VASOSPASM, CARDIAC ISCHEMIA, RENAL VASOSPASM, LIVER CIRRHOSIS, CONGESTIVE HEART FAILURE, NEPHROTIC SYNDROME, BRAIN EDEMA, CEREBRAL ISCHEMIA | AMERICAN CYANAMID COMPANY (US) | 1999-10-19 | — | — | US | disclosed |
| EP-0636625-B1 | Tricyclic diazepines vasopressin and oxytocin antagonists | AMERICAN CYANAMID CO (US) | 1999-01-27 | — | — | EP | disclosed |
| EP-0640592-B1 | N-acylated tricyclic azaheterorings useful as vasopressin antagonists | AMERICAN CYANAMID CO (US) | 1998-12-30 | — | — | EP | disclosed |
| US-5654297-A | CONGESTIVE HEART FAILURE, CARDIOVASCULAR DISORDERS | AMERICAN CYANAMID COMPANY (US) | 1997-08-05 | — | — | US | disclosed |
| US-5624923-A | UROGENITAL AND CARDIOVASCULAR DISORDERS | AMERICAN CYANAMID COMPANY (US) | 1997-04-29 | — | — | US | disclosed |
| WO-1996022294-A1 | BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS | AMERICAN CYANAMID COMPANY (US) | 1996-07-25 | — | — | WO | disclosed |
| US-5532235-A | TO TREAT EXCESS RENAL REABSORPTION | AMERICAN CYANAMID COMPANY (US) | 1996-07-02 | — | — | US | disclosed |
| US-5516774-A | TREATING DISEASES CHARACTERIZED BY EXCESS RENAL REABSORPTION OF WATER | AMERICAN CYANAMID COMPANY (US) | 1996-05-14 | — | — | US | disclosed |
| EP-0640592-A1 | N-acylated tricyclic azaheterorings useful as vasopressin antagonists | AMERICAN CYANAMID COMPANY (US) | 1995-03-01 | — | — | EP | disclosed |
| EP-0636625-A2 | Tricyclic diazepine vasopressin antagonists and oxytocin antagonists | AMERICAN CYANAMID COMPANY (US) | 1995-02-01 | — | — | EP | disclosed |