Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYSLTR2 | Q9NS75 | 2/20 | 0.47 |
| ▸ | CYSLTR1 | Q9Y271 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | PRNP | P04156 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.44 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL11683114 | 0.86 | CYP1A2 (0.54) | CYP1A2CYSLTR2CYSLTR1MAPTALDH1A1 | |
| SCHEMBL11740741 | 0.85 | CYP1A2 (0.46) | CYP1A2CYSLTR2CYSLTR1MAPTALDH1A1 | |
| SCHEMBL4728631 | 0.80 | CYSLTR2 (0.60) | CYP1A2CYSLTR2CYSLTR1MAPTALDH1A1 | |
| SCHEMBL11831057 | 0.80 | CTDSP1 (0.49) | CYP1A2MAPTALDH1A1KMT2AMEN1 | |
| SCHEMBL28631820 | 0.79 | CYP1A2 (0.51) | CYP1A2CYSLTR2CYSLTR1MAPTALDH1A1 | |
| SCHEMBL14934928 | 0.74 | ALDH1A1 (0.61) | MAPTALDH1A1KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL11678913 | 0.74 | CYP1A2 (0.48) | CYP1A2MAPTALDH1A1KMT2AMEN1 | |
| SCHEMBL28635312 | 0.74 | CYP1A2 (0.61) | CYP1A2CYSLTR2CYSLTR1MAPTALDH1A1 | |
| SCHEMBL13609768 | 0.72 | CYSLTR1 (0.50) | CYP1A2CYSLTR2CYSLTR1ALOX5 | |
| SCHEMBL17372711 | 0.72 | CYP1A2 (0.64) | CYP1A2CYSLTR2CYSLTR1MAPTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4044141-A | CORONARY DILATING, SPASMOLYTIC, HYPOTENSIVE AGENTS | BAYER AKTIENGESELLSCHAFT (DT) | 1977-08-23 | — | — | US | disclosed |
| US-4038399-A | 1,4-DIHYDROPYRIDINE CARBOXYLIC ACID ESTERS USEFUL AS CORONARY VESSEL DILATORS AND ANTI-HYPERTENSIVES | BAYER AKTIENGESELLSCHAFT (DT) | 1977-07-26 | — | — | US | disclosed |
| US-4031104-A | ANTIHYPERTENSIVE AGENTS | BAYER AKTIENGESELLSCHAFT (DT) | 1977-06-21 | — | — | US | disclosed |
| US-3996234-A | CORONARY VESSEL DILATORS, HYPOTENSIVES | BAYER AKTIENGESELLSCHAFT (DT) | 1976-12-07 | — | — | US | disclosed |
| US-3981893-A | HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-09-21 | — | — | US | disclosed |
| US-3974275-A | 1,4-Dihydropyridine carboxylic acid esters useful as coronary vessel dilators and anti-hypertensives | BAYER AKTIENGESELLSCHAFT (DT) | 1976-08-10 | — | — | US | disclosed |
| US-3974290-A | Vasodilating and antihypertensive compositions and methods of effecting vasodilation and treating hypertension utilizing 2-amino-4H pyrane as the active agent | BAYER AKTIENGESELLSCHAFT (DT) | 1976-08-10 | — | — | US | disclosed |
| US-3966767-A | CORONARY ACTION, ANTI-HYPERTENSIVE AGENTS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-06-29 | — | — | US | disclosed |
| US-3946028-A | HYPOTENSIVE AGENTS, CORONARY VESSEL DILATORS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-03-23 | — | — | US | disclosed |
| US-3946027-A | HYPOTENSIVE AGENTS, CORONARY VESSEL DILATORS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-03-23 | — | — | US | disclosed |
| US-3943140-A | HYPOTENSIVE, VASODILATION | BAYER AKTIENGESELLSCHAFT (DT) | 1976-03-09 | — | — | US | disclosed |
| US-3933834-A | CARDIOVASCULAR AGENTS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-01-20 | — | — | US | disclosed |
| US-3932645-A | CORONARY VASODILATORS, HYPOTENSIVE AGENTS | FARBENFABRIKEN BAYER AG (DT) | 1976-01-13 | — | — | US | disclosed |