Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | CDC7 | O00311 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | AHR | P35869 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.41 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29908356 | 1.00 | PARP1 (0.46) | PARP1CDC7KDM4EALDH1A1GAA | |
| SCHEMBL3427703 | 0.98 | PARP1 (0.47) | PARP1CDC7KDM4EALDH1A1GAA | |
| SCHEMBL3427967 | 0.95 | PARP1 (0.47) | PARP1CDC7KDM4EALDH1A1GAA | |
| SCHEMBL2395933 | 0.92 | PARP1 (0.50) | PARP1KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL28059195 | 0.85 | KDM4E (0.51) | KDM4EALDH1A1GAAMAPTRAB9A | |
| SCHEMBL5083476 | 0.84 | OPRL1 (0.46) | PARP1KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL3963175 | 0.83 | P2RX7 (0.53) | KDM4EALDH1A1GAARAB9AMEN1 | |
| SCHEMBL3955549 | 0.82 | PARP1 (0.52) | PARP1KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL30767818 | 0.81 | MAPT (0.48) | KDM4EALDH1A1GAAHPGDHSD17B10 | |
| SCHEMBL29373648 | 0.81 | ALDH1A1 (0.42) | PARP1KDM4EALDH1A1HPGDHSD17B10 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3774739-B1 | FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST | RAQUALIA PHARMA INC (JP) | 2022-05-11 | — | — | EP | claimed |
| EP-1651609-A1 | NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS | Pfizer Limited (GB) | 2006-05-03 | — | — | EP | claimed |
| WO-2005009966-A1 | NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS | PFIZER LIMITED (GB) | 2005-02-03 | — | — | WO | claimed |
| EP-3731869-A1 | IRAK DEGRADERS AND USES THEREOF | Kymera Therapeutics, Inc. (US) | 2020-11-04 | — | — | EP | disclosed |
| CN-109705097-A | Indazole -3- carboxylic acid amides and its purposes as WNT/ β-CATENIN signal transduction pathway inhibitor | 萨穆梅德有限公司 | 2019-05-03 | — | — | CN | disclosed |
| CN-109641871-A | AMINOPYRIDINE DERIVATIVES AND THEIR USE AS SELECTIVE ALK-2 INHIBITORS | 诺华股份有限公司 | 2019-04-16 | — | — | CN | disclosed |
| CN-104334527-B | Sulfonamide compounds and uses as tnap inhibitors | 桑福德-伯纳姆医学研究院 | 2017-05-24 | — | — | CN | disclosed |
| WO-2009153720-A1 | NICOTINAMIDE DERIVATIVES | PFIZER LIMITED (GB) | 2009-12-23 | — | — | WO | disclosed |
| EP-1740544-A1 | 2-PYRIDINYLCYCLOALKYLCARBOXAMIDE DERIVATIVES USEFUL AS FUNGICIDES | Bayer CropScience S.A. (FR) | 2007-01-10 | — | — | EP | disclosed |
| WO-2006068410-A1 | NOVEL 3-(2-AMINO-6-PYRIDINYL)-4-HYDROXYPHENYL AMINE DERIVATIVES | LG LIFE SCIENCES, LTD. (KR) | 2006-06-29 | — | — | WO | disclosed |
| WO-2005103006-A1 | 2-PYRIDINYLCYCLOALKYLCARBOXAMIDE DERIVATIVES USEFUL AS FUNGICIDES | BAYER CROPSCIENCE SA (FR) | 2005-11-03 | — | — | WO | disclosed |
| WO-2003068233-A1 | NICOTINAMIDE DERIVATIVES AND A TIOTROPIUM SALT IN COMBINATION FOR THE TREATMENT OF E.G. INFLAMMATORY, ALLERGIC AND RESPIRATORY DISEASES | PFIZER LIMITED (GB) | 2003-08-21 | — | — | WO | disclosed |