Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 4/20 | 0.73 |
| ▸ | GAA | P10253 | 2/20 | 0.66 |
| ▸ | POLB | P06746 | 1/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.65 |
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.59 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.58 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.58 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.58 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | AVPR2 | P30518 | 2/20 | 0.58 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.58 |
| ▸ | AVPR1B | P47901 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.53 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.53 |
| ▸ | MTTP | P55157 | 3/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL7417220 | 0.99 | HTT (0.71) | HTTGAAPOLBKDM4ETP53 | |
| Water SCHEMBL7417216 | 0.97 | HTT (0.70) | HTTGAAPOLBKDM4ETP53 | |
| SCHEMBL6993922 | 0.92 | HTT (0.73) | HTTGAAPOLBKDM4ETP53 | |
| SCHEMBL6992682 | 0.86 | HTT (0.55) | HTTGAAPOLBKDM4ELMNA | |
| SCHEMBL2595461 | 0.86 | HTT (0.63) | HTTGAAPOLBKDM4ELMNA | |
| SCHEMBL3296193 | 0.83 | MCHR1 (0.69) | POLBKDM4ETP53LMNAALDH1A1 | |
| SCHEMBL23202424 | 0.82 | KMT2A (0.64) | HTTGAAPOLBKDM4ELMNA | |
| SCHEMBL30452420 | 0.82 | KMT2A (0.64) | HTTGAAPOLBKDM4ELMNA | |
| SCHEMBL1458777 | 0.80 | CHRNB2 (0.63) | HTTGAAPOLBKDM4ETP53 | |
| SCHEMBL5945595 | 0.80 | TP53 (0.80) | HTTGAAPOLBKDM4ETP53 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1021444-B1 | 3-CARBOXAMIDE DERIVATIVES OF 5H-PYRROLO[2,1-c][1,4]-BENZODIAZEPINES | WYETH CORP (US) | 2003-09-24 | — | — | EP | disclosed |
| EP-1021444-A1 | 3-CARBOXAMIDE DERIVATIVES OF 5H-PYRROLO[2,1-c][1,4]-BENZODIAZEPINES | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-07-26 | — | — | EP | disclosed |
| EP-0915876-A1 | TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS | American Cyanamid Company (US) | 1999-05-19 | — | — | EP | disclosed |
| US-5880122-A | TREATING DISEASES CHARACTERIZED BY EXCESS RENAL REABSORPTION OF WATER | AMERICAN HOME PRODUCTS CORPORATION (US) | 1999-03-09 | — | — | US | disclosed |
| WO-1997049708-A9 | TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS | — | 1998-05-22 | — | — | WO | disclosed |
| US-5753648-A | THREATING DISEASES CAUSED BY RENAL REABSORPTION OF WATER | AMERICAN CYANAMID COMPANY (US) | 1998-05-19 | — | — | US | disclosed |
| WO-1998020011-A1 | 3-CARBOXAMIDE DERIVATIVES OF 5H-PYRROLO[2,1-c][1,4]-BENZODIAZEPINES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-05-14 | — | — | WO | disclosed |
| WO-1997049707-A1 | TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS | AMERICAN CYANAMID COMPANY (US) | 1997-12-31 | — | — | WO | disclosed |
| WO-1997049708-A1 | TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS | AMERICAN CYANAMID COMPANY (US) | 1997-12-31 | — | — | WO | disclosed |
| US-5700796-A | USEFUL FOR TREATING CONGESTIVE HEART FAILURE, DISEASE CONDITIONS WITH EXCESS RENAL WATER REABSORPTION AND CONDITIONS WITH INCREASED VASULAR RESISTANCE AND CORONARY VASOCONSTRICTION | AMERICAN CYANAMID COMPANY (US) | 1997-12-23 | — | — | US | disclosed |