Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | RECQL | P46063 | 2/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15598874 | 1.00 | MAPK1 (0.44) | MAPK1HPGDHSD17B10ESR2ALDH1A1 | |
| SCHEMBL11722394 | 1.00 | MAPK1 (0.44) | MAPK1HPGDHSD17B10ESR2ALDH1A1 | |
| SCHEMBL11726345 | 0.95 | MAPK1 (0.43) | MAPK1HPGDHSD17B10ESR2ALDH1A1 | |
| SCHEMBL6573614 | 0.95 | MAPK1 (0.43) | MAPK1HPGDHSD17B10ESR2ALDH1A1 | |
| SCHEMBL6573616 | 0.95 | MAPK1 (0.43) | MAPK1HPGDHSD17B10ESR2ALDH1A1 | |
| SCHEMBL11724429 | 0.93 | HPGD (0.43) | MAPK1HPGDHSD17B10ESR2ALDH1A1 | |
| SCHEMBL9612293 | 0.80 | TSHR (0.44) | HCAR2KDM4ETSHR | |
| SCHEMBL4954046 | 0.80 | TSHR (0.44) | HCAR2KDM4ETSHR | |
| SCHEMBL4954055 | 0.80 | TSHR (0.44) | HCAR2KDM4ETSHR | |
| SCHEMBL29135184 | 0.80 | MAPK1 (0.41) | MAPK1HPGDHSD17B10ESR2ALDH1A1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017072796-A1 | 2-PYRIDONE BASED COMPOUNDS USEFUL AS POTENTIAL PHOSPHODIESTERASE3A (PDE3A)INHIBITORS AND A PROCESS FOR THE PREPARATION THEREOF | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2017-05-04 | — | — | WO | disclosed |
| US-4053614-A | 1,2-PENTAMETHYLENE-1,4-DIHYDROPYRIDINE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DT) | 1977-10-11 | — | — | US | disclosed |
| US-4024261-A | HYPERTENSIVE AGENTS, CORONARY VESSEL DILATORS | BAYER AKTIENGESELLSCHAFT (DT) | 1977-05-17 | — | — | US | disclosed |
| US-4004015-A | Bicyclic derivatives of 1,4-dihydropyridine as antihypertensive agents and coronary vessel dilators | BAYER AKTIENGESELLSCHAFT (DT) | 1977-01-18 | — | — | US | disclosed |
| US-3951994-A | HYPOTENSIVE, CORONARY VESSEL DILATORS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-04-20 | — | — | US | disclosed |
| US-3951988-A | HYPOTENSIVE, CORONARY VESSEL DILATORS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-04-20 | — | — | US | disclosed |
| US-3948923-A | HYPOTENSIVE, VASODILATION | BAYER AKTIENGESELLSCHAFT (DT) | 1976-04-06 | — | — | US | disclosed |
| US-3935220-A | VASODILATION, HYPOTENSIVE | BAYER AKTIENGESELLSCHAFT (DT) | 1976-01-27 | — | — | US | disclosed |