Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 1/20 | 0.56 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.37 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.37 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.37 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | HTR5A | P47898 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5220692 | 0.84 | NOS2 (0.53) | NOS2NOTUMPARP1MAPTTSHR | |
| Methylamine SCHEMBL27663588 | 0.83 | NOS2 (0.53) | NOS2BCAT2NOTUMSMN1; SMN2PARP1 | |
| SCHEMBL28318614 | 0.79 | NOS2 (0.47) | NOS2POLBTSHRHSD17B10L3MBTL1 | |
| SCHEMBL7940885 | 0.72 | NOS2 (1.00) | NOS2HTR5ATSHR | |
| SCHEMBL15650452 | 0.72 | NOS2 (0.60) | NOS2SMN1; SMN2JAK2IDO1 | |
| SCHEMBL17541288 | 0.71 | CSNK1A1 (0.33) | CSNK1A1TYRO3DYRK1BNUDT1 | |
| Hydrochloric Acid SCHEMBL8382199 | 0.71 | NOS2 (0.96) | NOS2HTR5ATSHR | |
| SCHEMBL5119307 | 0.70 | NOS3 (0.55) | NOS2BCAT2NOTUMHTTSMN1; SMN2 | |
| SCHEMBL5264968 | 0.70 | BCAT2 (0.39) | NOS2BCAT2POLBMAPT | |
| Hydrochloric Acid SCHEMBL28328180 | 0.69 | NOS3 (0.53) | NOS2BCAT2NOTUMHTTSMN1; SMN2 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2170843-A1 | HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | Pfizer Inc. (US) | 2010-04-07 | — | — | EP | claimed |
| EP-2001875-A2 | GLUCOKINASE ACTIVATORS | Takeda San Diego, Inc. (US) | 2008-12-17 | — | — | EP | claimed |
| WO-2008149191-A1 | HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | PFIZER INC. (US) | 2008-12-11 | — | — | WO | claimed |
| WO-2007104034-A2 | GLUCOKINASE ACTIVATORS | TAKEDA SAN DIEGO, INC. (US) | 2007-09-13 | — | — | WO | claimed |
| EP-1453789-A2 | N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES | Elan Pharmaceuticals, Inc. (US) | 2004-09-08 | — | — | EP | claimed |
| WO-2003040096-A2 | N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES | ELAN PHARMACEUTICALS, INC. (US) | 2003-05-15 | — | — | WO | claimed |
| CN-112390782-B | Compound for specifically enhancing spatial coupling degree of TRPV4-KCa2.3 complex and application thereof | 江南大学 | 2021-12-03 | — | — | CN | disclosed |
| CN-112390782-A | Compound for specifically enhancing spatial coupling degree of TRPV4-KCa2.3 complex and application thereof | 江南大学 | 2021-02-23 | — | — | CN | disclosed |
| CN-103087047-A | Pyrrolidine-2,4-thiazolidinedione compound containing dihydroisoquinoline group and preparation method and application thereof | UNIV NANJING AGRICULTURAL | 2013-05-08 | — | — | CN | disclosed |
| EP-2001875-A2 | GLUCOKINASE ACTIVATORS | Takeda San Diego, Inc. (US) | 2008-12-17 | — | — | EP | disclosed |
| WO-2007104034-A2 | GLUCOKINASE ACTIVATORS | TAKEDA SAN DIEGO, INC. (US) | 2007-09-13 | — | — | WO | disclosed |
| CN-101010303-A | Quinazolinone derivatives and their use as B-RAF inhibitors | ASTRAZENECA AB (SE) | 2007-08-01 | — | — | CN | disclosed |
| CN-1976907-A | Heterocyclic amide compound and use thereof as an MMP-13 inhibitor | TAKEDA PHARMACEUTICAL (JP) | 2007-06-06 | — | — | CN | disclosed |
| EP-1740551-A1 | HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR | Takeda Pharmaceutical Company Limited (JP) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005105760-A1 | HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-11-10 | — | — | WO | disclosed |