Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.34 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Methylamine SCHEMBL27663588 | 0.95 | NOS2 (0.53) | NOS2GAAKDM4EALDH1A1HSD17B10 | |
| SCHEMBL28318614 | 0.80 | NOS2 (0.47) | NOS2GAAKDM4EALDH1A1HSD17B10 | |
| SCHEMBL5262502 | 0.76 | NAPRT (0.40) | KDM4EALDH1A1MAPTLMNANAPRT | |
| SCHEMBL15650452 | 0.73 | NOS2 (0.60) | NOS2GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL13585229 | 0.70 | NOS2 (0.56) | NOS2GAAALDH1A1MAPTGABRA1 | |
| SCHEMBL7940885 | 0.69 | NOS2 (1.00) | NOS2TSHR | |
| SCHEMBL27416904 | 0.69 | NOS2 (0.55) | NOS2KDM4EALDH1A1HSD17B10HPGD | |
| SCHEMBL27479358 | 0.69 | NOS3 (0.52) | NOS2KDM4EALDH1A1HPGDNOTUM | |
| SCHEMBL37948 | 0.69 | NISCH (0.32) | KDM4E | |
| Hydrochloric Acid SCHEMBL8382199 | 0.68 | NOS2 (0.96) | NOS2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023208173-A1 | SUBSTITUTED 6- (PYRIMIDIN-4-YL) QUINOLINE COMPOUNDS AS CYCLIN DEPENDENT KINASE INHIBITORS | BEIGENE , LTD. (KY) | 2023-11-02 | — | — | WO | disclosed |
| WO-2021026672-A1 | HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS | NOVARTIS AG (CH) | 2021-02-18 | — | — | WO | disclosed |
| CN-109641886-A | bicyclic BET bromodomain inhibitors and uses thereof | 康威基内有限公司 | 2019-04-16 | — | — | CN | disclosed |
| CN-1922171-B | Pyrimidine derivative | ASKA PHARM CO LTD | 2012-10-17 | — | — | CN | disclosed |
| CN-1681811-B | Azolidinone-vinyl fused-benzene derivatives | APPLIED RESEARCH SYSTEMS | 2010-05-26 | — | — | CN | disclosed |
| CN-101351453-A | Heterocyclic amide compound and use thereof | TAKEDA PHARMACEUTICAL (JP) | 2009-01-21 | — | — | CN | disclosed |
| CN-101163683-A | 4-0x0quinaz0lin-3-yl benzamide derivatives for the treatment of cytokine diseases | ASTRAZENECA AB ASTRAZENECA UK (SE) | 2008-04-16 | — | — | CN | disclosed |
| EP-1814552-A2 | COMPOUNDS FOR TREATING PROTEIN-KINASE MEDIATED DISORDERS | Astex Therapeutics Limited (GB) | 2007-08-08 | — | — | EP | 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-2006051290-A2 | COMPOUNDS FOR TREATING PROTEIN-KINASE MEDIATED DISORDERS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-05-18 | — | — | WO | 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 |
| CN-1681811-A | Azolidinone-vinyl fused-benzene derivatives | APPLIED RESEARCH SYSTEMS (AN) | 2005-10-12 | — | — | CN | disclosed |