Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.31 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MC4R | P32245 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6592179 | 0.76 | POLB (0.47) | POLBKDM4ENAPRTHCAR2HSP90AA1 | |
| SCHEMBL27529146 | 0.73 | POLB (0.44) | POLBKDM4ENAPRTHCAR2HSP90AA1 | |
| SCHEMBL28807709 | 0.73 | POLB (0.43) | POLBKDM4EHSP90AA1TP53SMN1; SMN2 | |
| SCHEMBL27862268 | 0.72 | POLB (0.39) | POLBKDM4ENAPRTHCAR2HSP90AA1 | |
| SCHEMBL27788485 | 0.72 | POLB (0.39) | POLBKDM4ENAPRTHCAR2HSP90AA1 | |
| SCHEMBL27972619 | 0.72 | KCNA5 (0.41) | LMNAGAAHTT | |
| SCHEMBL28687108 | 0.68 | POLB (0.40) | POLBKDM4ENAPRTHCAR2HSP90AA1 | |
| SCHEMBL13367380 | 0.68 | POLB (0.55) | POLBKDM4ENAPRTHCAR2HSP90AA1 | |
| Ampyzine SCHEMBL30627403 | 0.68 | — | — | |
| Ampyzine SCHEMBL160265 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1192014-C | Process for preparing HIV protease inhibitors | MERCK & CO INC (US) | 2005-03-09 | — | — | CN | disclosed |
| CN-1100054-C | Process for preparing HIV protease inhibitors from (2S) -4-picolyl-2-piperazine-tert-butylcarboxamide | MERCK & CO INC (US) | 2003-01-29 | — | — | CN | disclosed |
| CN-1083425-C | Regiospecific process to make cis-1-amino-2-alkanol from epoxide | MERCK & CO INC (US) | 2002-04-24 | — | — | CN | disclosed |
| CN-1082964-C | Chiral diphosphines | MERCK & CO INC (US) | 2002-04-17 | — | — | CN | disclosed |
| CN-1077881-C | Regiospecific processes to make cis-1-amino-2-alkanol from diol or halohydrin | MERCK & CO INC (US) | 2002-01-16 | — | — | CN | disclosed |
| CN-1066728-C | Process for producing epoxide | MERCK & CO INC (US) | 2001-06-06 | — | — | CN | disclosed |
| CN-1066723-C | Intermediates for HIV protease inhibitors and process for preparing the same | MERCK & CO INC (US) | 2001-06-06 | — | — | CN | disclosed |
| CN-1252402-A | Process for preparing HIV protease inhibitors | MERCK & CO INC (US) | 2000-05-10 | — | — | CN | disclosed |
| CN-1046727-C | HIV protease inhibitors | MERCK & CO INC (US) | 1999-11-24 | — | — | CN | disclosed |
| CN-1046715-C | Process for preparing HIV protease inhibitors | MERCK & CO INC (US) | 1999-11-24 | — | — | CN | disclosed |
| CN-1221422-A | Novel chiral bisphosphines | MERCK & CO INC (US) | 1999-06-30 | — | — | CN | disclosed |
| CN-1183780-A | Reductive alkylation process for the preparation of N- (2- (R) -hydroxy-1- (S) -2, 3-indanyl) -2- (R) -benzyl-4 (S) -hydroxy-5- (1- (4- (3-picolyl) -2(S) -N' - (tert-butylcarboxamido) piperazinyl) pentanamide (di-compound D or L-735,524) | MERCK & CO INC (US) | 1998-06-03 | — | — | CN | disclosed |
| CN-1147244-A | Regiospecific processes to make cis-1-amino-2-alkanol from diol or halohydrin | MERCK & CO INC (US) | 1997-04-09 | — | — | CN | disclosed |
| CN-1147243-A | Regiospecific process for the preparation of cis-1-amino-2-alkanols from epoxides | MERCK & CO INC (US) | 1997-04-09 | — | — | CN | disclosed |
| CN-1142827-A | HIV protease inhibitors | MERCK & CO INC (US) | 1997-02-12 | — | — | CN | disclosed |
| CN-1130905-A | Process for preparing HIV protease inhibitors | MERCK & CO INC (US) | 1996-09-11 | — | — | CN | disclosed |
| CN-1130380-A | Process for preparing HIV protease inhibitors | MERCK & CO INC (US) | 1996-09-04 | — | — | CN | disclosed |